Process and apparatus for naming chemical structures and the application thereof

A novel method for naming chemical compounds comprises the steps of identifying a first component constituting the core of the compound according to predetermined first rules, naming the first component according to predetermined second rules, naming a secondary component of the first component according to predetermined third rules, modifying the name given for the first component by adding the name given for the second component to the name of the first component, and repeating the secondary-component naming and name-modifying steps for all of the secondary components in the compound. Such a method will give uniform rules for naming chemical compound, especially for organic compounds and for simply and easily naming new compounds.

BACKGROUND OF INVENTION 
The present invention relates generally to the nomenclature of organic 
chemical compounds and their structures. More specifically, the invention 
relates to a novel process and system for naming chemical compounds, which 
allows linear notation of chemical structure in an extremely simple way. 
Hereinafter, the system of the chemical nomenclature according to the 
present invention will be called "Radial Nomenclature". 
This invention is a discovery of a consistent rule that applies to all 
organic compounds for the linear notation of chemical structures. The 
invention incorporates specific methods suitable for visual and aural 
information exchange between humans as well as specific methods for 
information processing by computers, and is a linear notation of chemical 
structures using natural language that is extremely simple, being composed 
of approximately a hundred basic terms and a systematic grammar. The 
inventor names this notation "Radial Nomenclature", which expresses the 
characteristics of this notation. 
It is now 200 years since the molecular structure of organic compounds 
began to be researched, but as organic compounds since then have been 
independently named without a unifying logic, there has been confusion in 
science and industry. 
In order to resolve this problem, a movement began to establish means based 
on molecular structures, and in AD 1892, the first international proposal 
(the so-called "Geneva Rules") was made. However, as this proposal could 
be applied only to a portion of organic compounds, this was revised and 
extended by the Commission for the Reform of Nomenclature in Organic 
Chemistry of the International Union of Chemistry (I.U.C.), and this work 
was succeeded by the Commission of Nomenclature of Organic Chemistry of 
the International Union of Pure and Applied Chemistry (I.U.P.A.C.). 
This commission continues its work to complete the establishment of a set 
of IU NOMENCLATURE RULES, but as compounds of new types appear, the 
rules are revised and supplemented in extensive detail, so that a 
consistency in the rules is becoming scarce, and the corpus has become a 
rule book of over several hundred basic terms and over 300 pages. As a 
result, this nomenclature has become a useful tool for nomenclature 
specialists, but a grammatically difficult "Basque tongue" for students 
new to chemistry. 
On the one hand, information on over 6 million organic compounds are now 
extensively used in chemical industry and research, but notwithstanding 
the development of computers as tools for information processing, as there 
is no consistent nomenclature, serial numbers that are unrelated to 
chemical structures are used in order to relate chemical structures to 
compound names in computer processing. 
On the other hand, we have the Wiswesser Line-Formula Chemical Notation 
(usually abbreviated as WLN) and Nodal Nomenclature (Noel Lozach, Angew. 
Chem. Int. Ed. Engl. 18, 887-899 (1979); 23, 33-46 (1984)) which are 
linear notations or nomenclature of chemical structures that are logically 
consistent. 
In terms of the unequivocal correspondence between notations or names and 
chemical structures, the former is said to be good, and it is assumed that 
the latter also corresponds. 
WLN is a predominantly character-and-symbol based linear notation that is 
suitable for information processing using computers, but as it is not in 
natural language, it lacks straightforwardness for human senses. 
The reason that the latter Nodal Nomenclature was assumed to have 
unequivocal correspondence between names and structures is that in that 
system, the smallest component of the skeletal structures of compounds as 
identified as the atom, and their mutual relationship is notated linearly, 
so that it has similarities to this invention, but its applicability to 
all compounds has still not been demonstrated. 
SUMMARY OF THE INVENTION 
Therefore, it is a principal object of the present invention to provide a 
novel process for naming chemical structure of organic compounds in a 
simple and unambiguous way. 
Another object of the present invention is to provide a novel notation 
process for the chemical structure which is applicable to all chemical 
structures, and especially to organic compounds. 
A further object of the present invention is to provide a system for 
performing the novel notation process according to the invention. 
In order to accomplish the aforementioned and other objects, a notation 
process for chemical compounds according to the present invention is based 
on the following principles: 
1. The chemical structure of all organic compounds are (I) considered to be 
acyclic hydrocarbons; (II) considered to be alicyclic hydrocarbon 
compounds; (III) considered to be aromatics excepting those in item IV; 
and/or (IV) cyclic fused aromatic rings, each of groups (I) through (IV) 
having corresponding noncarbon isohydrides. 
2. (I) and (II) are shown with the relationship between skeletal atoms, and 
(III) and (V) are shown with the relationship between aromatic rings in a 
logically consistent manner. 
3. Even when the above components are mutually bonded to form a different 
type of organic compound, the original name and numbering of skeletal 
atoms used in the nomenclature of the original constitutional elements are 
retained as unique characteristics of that element. 
4. The names of all compounds begin with the expression of the core, 
following the notation that has been formulated, and the names of the 
substituent portions are added in turn. 
5. As a logically unified method was established for expressing the mutual 
relationship of bonding of the consitutional elements, this supports the 
mechanical interconversion of names and chemical structures of the formula 
notation. 
6. As the terms based on natural language are used in the formula notation, 
the notation is suitable for human vision and hearing too. 
According to one aspect of the invention, a method for naming chemical 
compounds comprises the steps of: 
identifying a first component constituting the core of the compound 
according to predetermined first rules; 
naming the first component according to predetermined second rules; 
naming a secondary component of the first component according to 
predetermined third rules; 
modifying the name given for the first component by adding the name given 
for the second component to the name of the first component; and 
repeating the secondary-component naming and name-modifying steps for all 
of the secondary components in the compound. 
The chemical compound is an organic compound. The first component is 
classified from among a first group consisting of acyclic hydrocarbons, a 
second group consisting of alicyclic hydrocarbon compounds, a third group 
consisting of aromatics excepting those classified in a fourth group, and 
the fourth group consisting of cyclic fused aromatic rings, each group 
having corresponding noncarbon isohydrides. The first component to be 
classified in the first and second groups are skeletal atoms. On the other 
hand, the first component to be classified in the third and fourth groups 
are aromatic rings. 
The original name and numbering of the skeletal atoms used in nomenclature 
of the original constitutional element are retained as unique 
characteristics of the element even when the components are mutually 
bonded to form a different type of organic compound. All the names given 
to the chemical compounds begin with the name of the first component. The 
names given to the second components follow the name of the first 
component. 
In the preferred method, natural language are used in the formula notation. 
According to another aspect of the invention, a system for naming chemical 
compounds comprises storage means for storing name stems and rules for 
naming compounds, input means for inputting data concerning chemical 
compounds, processing means for accepting data from the input means, 
retrieving name stems and rules from the storage means and manipulating 
data accepted from the input means according to the rules stored in the 
storage means, and output means for displaying the results of 
manipulations performed by the processing means. 
The input means is adapted to accept data in the form of the chemical 
formula of the compound to be named. The output means is associated with 
the input means for displaying input data. The output means incorporates a 
graphic display, and the input means allows graphic input. The storage 
means stores the name stems in the form of a table.

DETAILED DESCRIPTION OF THE INVENTION 
Hereafter disclosed is the preferred embodiment of a notation process for 
chemical compounds, especially organic compounds, according to the 
invention and a system for implementing the preferred embodiment of the 
notation process. 
Before disclosing the preferred embodiment of the naming system according 
to the invention, the fundamental principles of notation for chemical 
compounds according to the present invention will be described to 
facilitate better understanding of the present invention. 
1. Decomposing Chemical Structures into Their Components 
A chemical structure is decomposed into its components as follows: 
(1) All atoms other than hydrogen are regarded as skeletal atoms. 
(2) The skeletal structure is decomposed into its components as stated 
below, and when there is a choice for how the structure is to be 
decomposed, then that one is chosen which gives the least number of 
components. 
(3) Moniliform cyclic structures, which are formed by four- to 
eight-membered rings whose two adjacent rings have only two atoms in 
common, are isolated as Group IV. 
(4) Honeycomb-like fused systems of six-membered rings and their modified 
systems with up to four- or eight-membered expanded or contracted 
peripheral rings with maximum number or non-adjacent double bonds are 
isolated as Group III from what remains after process (3). 
(5) Cyclic parts are isolated as Group II from what remains after process 
(4). 
(6) Every continuation of identical atoms in what remains after process (5) 
are isolated as Group I. 
These components in four Groups are classified into fundamental skeletons 
and their modifications as follows: 
a. The skeletons of Group III and IV, which are composed of only 
six-membered rings with identical atoms and with the maximum number of 
non-adjacent double bonds are the fundamental skeletons, while the other 
components of these Groups are modifications of the fundamental skeletons. 
b. The skeletons of Group II, which are composed of one kind of atom linked 
to each other by single bonds are the fundamental skeletons, while the 
other components of this Group are modifications of the fundamental 
skeletons. 
c. The skeletons of Group I, which are composed of single bonds alone are 
the fundamental skeletons, while the other components of Group I are 
modifications of the fundamental skeletons. 
2. Naming Components 
Each component obtained by the preceding process is named as follows: 
##EQU1## 
The formula 
##EQU2## 
stands for citing the 1st variable, 2nd variable, and so on up to the 
h-th, one by one in this order, and the formula A+B+ . . . stands for 
citing the terms A, B, . . . in this order. 
(1) The Names of Fundamental Skeletons 
The name of each fundamental skeleton is made by citing the variables in 
the following formula according to Table 1. 
##EQU3## 
TABLE 1 
______________________________________ 
Appli- 
Vari- 
cable Cipher or Term 
ables 
Groups Meanings for Each Variable 
______________________________________ 
A II and The number of cycles 
Multiplicative 
IV 1st Series *1 
B II AND Existence of nodal 
The term CYCLO 
IV cycles 
C I to The number of nodes 
Multiplicative 
IV 1st Series*1 
D I, II Size of cycle and 
The number of 
and IV unbranched chains, 
nodes and locants 
and location of 
of branching 
branching points 
points 
E III Length, location, 
The locant, 
and stretching direction cipher 
direction of and the number of 
ring-lines rings 
IV Fusing site of rings 
The direction 
cipher 
F I and Kinds of atoms The terms *2 
II 
III Kinds of atoms The terms *2; 
and IV CARB is omitted 
G I and Skeleton composed of 
The term AN 
II atoms 
III Skeleton composed of 
The term AREN 
and IV rings 
H I to Without modification 
The term E 
IV and substitution 
With modification 
No term before 
and/or substitution 
EN and YN 
The term O before 
others 
______________________________________ 
*1 The variables A and C are multiplicatives of the 
first series as follows: 
11 undeca 21 henicosa 
31 hentriaconta 
2 di 12 dodeca 22 docosa 32 dotriaconta 
3 tri 13 trideca 
23 tricosa 
33 tritriaconta 
4 tetra 
14 tetradeca 
24 tetracosa 
. . 
5 penta 
15 pentadeca 
25 pentacosa 
. . 
6 hexa 
16 hexadeca 
26 hexacosa 
. . 
7 hepta 
17 heptadeca 
27 heptacosa 
40 tetraconta - 8 octa 18 
octadeca 28 octacosa 50 pnetaconta - 
9 nona 19 nonadeca 29 nonacosa 60 he 
xaconta 
10 deca 
20 icosa 30 triaconta 
70 heptaconta 
80 octaconta 
90 nonaconta 
100 hecta 
400 tetracta 
700 heptacta 
1000 kilia 
200 dicta 
500 pentacta 
800 octacta 
2000 dilia 
300 tricta 
600 hexacta 
900 nonacta 
3000 trilia 
*2 Terms denoting elements are: C = carb, Si = Sil, Ge = germ, 
Sn = stann, Pb = plumb, B = bor, N = az, P = phosph, 
As = ars, Sb = stib, Bi = bismuth, Hg = mercur, O = ox, 
S = sulf, Se = sel, Te = tell, Po = pol, F = flour, Cl = chlor, 
Br = brom, I = iod, At = astst. 
(2) The Modification of Fundamental Skeletons 
Modification has the following functions: 
a. change of bonding stage between skeletal atoms. 
b. Addition or deletion of skeletal atoms. 
c. Partial exchange of skeletal atoms with atoms of other kinds of elements 
Modification of a fundamental skeleton is described by citing the variables 
in the next formula according to Table 2. 
##EQU4## 
TABLE 2 
______________________________________ 
Appli- 
Vari- cable Cipher or Term 
ables Groups Meanings for Each Variable 
______________________________________ 
I I to IV Modified position of 
Locants in the 
the fundamental fundamental 
skeleton skeleton 
J I to IV The number of Multiplicative 
identical 1st Series *1 
modifications 
K Kinds of modifications 
I, II Change of a single 
The term 
-- 
bond to a double 
EN 
bond 
I, II Change of a single 
The term 
-- 
bond to a triple 
YN 
bond 
III Hydrogenative -- The term 
deletion of an atom DELE 
of an internal ring 
III Hydrogenative -- The term 
deletion of a bond SEC 
of an internal ring 
III, IV Insertion of an atom 
-- The tern 
in a periferical HOM 
bond 
III, IV Deletion of a non- 
-- The term 
angular periferical NOR 
atom 
III, IV Linking two ring 
-- The term 
atoms CYCL 
III, IV Change of a double 
-- The term 
bond to a triple DEHYDR 
bond 
III, IV Change of a double 
-- The term 
bond to a single HYDR 
bond 
III, IV Exchange of a -- The term 
skeletal atom by for 
another kind of element 
atom *2 
L I to IV Without more The term 
The term 
modifications or 
E ADE 
substitutions 
With further No term after NOR 
modification and/or 
The term A after 
substitutions the terms for 
elements 
The term O after 
other terms 
______________________________________ 
3. Choice of the Core among the Components 
The core is chosen among the components by applying the following criteria 
in the described order until the decision is made. The choice goes to the 
component 
a. whose Group number is the largest; 
b. whose variable A denoted by a multiplicative is the largest; 
c. whose variable C denoted by a multiplicative is the largest; 
d. whose series of variables 
##EQU5## 
is prior; 
e. whose series of variable 
##EQU6## 
is prior; 
The priority of the series 
##EQU7## 
is defined as in the following. 
When the series 
##EQU8## 
is compared variable to variable, that one is prior which contains the 
prior variable prescribed by the following criteria on the occasion of the 
first difference. 
a. The larger number denoting size, or length is prior. 
b. The smaller locant is prior. 
c. That cipher denoting direction is prior which precedes in alphabetical 
order. 
d. A variable is prior to a variable which constitutes the first part of 
the former variable. 
4. Composition of Names of Compounds 
Components other than the core are all substituting components. The bonding 
relations among the core and the substituting components are as in the 
following example: 
##STR1## 
A compound is named by citing first the core, then the substituting 
components one by one from the one attached to the core to the terminal 
one of every branch, processing in alphabetical order of the name at each 
branching point. 
##EQU9## 
The core is the component preceding those substituting components which are 
attached to it. A substituting component can also be the preceding 
component of other substituting components which attach to it and are not 
located between it and the core. A substituting component is the 
subsidiary substituting components of their preceding substituting 
components. 
The name of the core is designated by the name of the component. 
5. Naming Substituting Components 
Each substituting component is named by citing the variables in the next 
formula according to Table 3. 
##EQU10## 
TABLE 3 
______________________________________ 
Vari- Cipher or Term 
ables Meanings for Each Variable 
______________________________________ 
.alpha. 
Points in the preceding 
The locant in the 
component to which the 
preceding component 
substituting component is 
bonded 
.beta. 
The number of identical 
Multiplicative 1st 
substituting components 
Series *1 
.gamma. 
The number of identical 
Multiplicative 2nd 
bonds between the Series *3 
substituting component and 
the preceding component 
.delta. 
Kinds of bonds with which 
the substituting component 
is bonded with the 
preceding component: 
a. Single valence bond 
The term YL 
b. Double valence bond 
The term YLIDEN 
c. Triple valence bond 
The term YLIDYN 
.epsilon. 
Points in the substituting 
The locant in the 
component from which the 
substituting 
valence bonds stretch out 
component 
to the preceding component 
______________________________________ 
*3 The following is the list of the multiplicatives of 
the second series. 
2 bi 8 octoni 14 quaterdeni 
20 viceni 
3 ter 9 noveni 15 quideni 21 unviceni 
4 quater 10 deni 16 sedeni 30 terceni 
5 quini 11 undeni 17 septedeni 
40 quaterceni 
6 seni 12 duodeni 
18 octodeni 
50 quiceni 
7 septeni 13 terdeni 
19 novedeni 
60 seceni 
6. Naming Monoatomic Substituting Components 
Monoatomic fundamental skeletons can be denoted by the variable F out of 
variables A to L, because they are composed of one skeletal atom and 
cannot be modified. Thus, that substituting component with subsidiary 
substituents which are derived from a monoatomic fundamental skeleton is 
denoted by formula (5) with variable F instead of 
##EQU11## 
In the case of unsubstituted substituents derived from monoatomic 
fundamental skeletons, substituting components are named by citing the 
variables in the next formula according to the Tables 3 and 4. 
##EQU12## 
TABLE 4 
______________________________________ 
Vari- Term for Each 
ables Meanings Variable 
______________________________________ 
.delta.' Kinds of bonds with which 
the substituting component 
is bonded with the 
preceding component: 
a. Single valence bond 
The term ANT 
b. Double valence bond 
The term ENT 
c. Triple valence bond 
The term INT 
______________________________________ 
7. Complex Variables 
Variables D, E, I, .alpha., and .epsilon., which are not defined in detail 
earlier, are composed of elemental variables as follows: 
(1) Elemental Variables 
Elemental variables R and S denote locants of nodes, i.e., of skeletal 
atoms or rings, and T denotes locants of atoms in the nodal ring. 
Elemental variable U denotes the locant of the originating nodal ring in 
the case of Group III as shown below: 
##STR2## 
The originating ring is the ring at which the numbering of rings in the 
ring-line begins, and is defined as the left-end ring of a lateral 
ring-line, or the ring of an oblique ring-line nearest to the main 
ring-line. 
The reference ring which determines the locant and the direction cipher of 
a ring-line is (i) that previously numbered ring of the oblique ring-line, 
or (ii) the left-end ring of that previously numbered lateral ring-line, 
to which the said ring-line is fused. 
When skeletal nodes are hexagonal rings, there are more than one fusing 
cite of nodes, which are denoted by the variable V. In the case of Group 
III, the sprouting directions of the ring-line are defined A, B, C, D, E, 
F, G, and H as shown below, and in the case of Group IV, the fusing cite 
of nodes in a monoliform cycle is defined as M, P, and V as shown below. 
##STR3## 
Elemental variable W denotes the number of nodes, i.e. of skeletal atoms 
or rings. 
(2) Variable D--(a) Size and Locants of Unbranched Chains. 
In the case of Group I, the length and locant of an unbranched chain of 
nodes are denoted by the variable D. This variable is composed of two 
elemental veriables R and W as 
##EQU13## 
where W.sub.a indicates the number of nodes of the a-th chain, while 
R.sub.a indicates the locant of the node, from which the a-th chain 
sprouts out. Locants are defined as follows 
First, the longest unbranched chain in the fundamental skeleton is defined 
as the main chain, and its nodes are consecutively given locants from 1 
beginning at one end so as to give the lowest series of locants of the 
branching nodes. 
Next, the nodes of branches sprouting out from the main chain are given 
locants consecutively following the locants of the main chain, branch by 
branch in the increasing order of their locants, i.e., the locants of the 
nodes in the main chain from which the branches sprout out. 
The example shows the numbering of the nodes and matrix of the variable 
D.sub.a. The elemental variable R.sub.1 is always omitted, because the 
main chain is not branched out from another chain. 
##STR4## 
Therefore, the series of D.sub.a is 
##EQU14## 
(3) Variable D--(b) Size and Locants of Cycles and Bridges. 
In the cases of Groups III and IV, the size and locants of a cycle or a 
bridge of nodes are denoted by the variable D. This variable is composed 
of three elemental variables as 
##EQU15## 
where W.sub.a indicates the number of nodes of the a-th unbranched chain 
composing a cycle or a bridge, and R.sub.a and S.sub.a indicate locants of 
the nodes to which both end-nodes of the a-th chain are bound. Locants are 
defined as follows. 
First, the nodes of the largest cycle (called the main cycle) are 
consecutively given locants from 1 so as to give the lowest series of 
locants of the bridgehead nodes (the nodes branching out bridges). 
Next, the nodes of bridges (unbranched or branched) are consecutively given 
locants one by one following the node locants of the main cycle, in the 
increasing order of the series of locants of the bridgehead nodes (if 
there are more than two locants, the series of the two lowest locants) of 
bridges. Nodes of each unbranched chain are given locants from the end 
bound to the lower numbered node. 
The examples show the numbering of nodes and the matrix of the variables 
D.sub.a. As the elemental variable R.sub.1 is always 1, and S.sub.1 
=W.sub.1, R.sub.1 and S.sub.1 are omitted in the series of variable 
D.sub.1. 
##STR5## 
Therefore, the series of the variables D.sub.a of the examples are 
##EQU16## 
respectively. 
(4) Variable E--(a) The Case of Group III 
Ring-lines of Group III are denoted by the variable E, which is composed of 
three elemental variables U, V, and W as 
##EQU17## 
where W.sub.e, U.sub.e, and V.sub.e indicate the number of rings in the 
e-th ring-line, the locant of the originating ring of the e-th ring-line, 
and the sprouting direction of the e-th ring-line, respectively. 
Rings of ring-line are numbered as follows: 
First, the longest ring-line in the fundamental skeleton is defined as the 
main ring-line, and its rings are consecutively numbered from 1 beginning 
at one end so as to give the prior series of the variables U+V of 
ring-lines fusing to the main ring-line. 
Next, rings of each ring cluster fusing to the main ring-line are 
consecutively numbered cluster by cluster following the ring-numbers of 
the main ring-line, in the prior order of U+V. 
The example shows the numbering of ring-nodes and the matrix of the 
variable E.sub.e. The elemental variables U.sub.1 and V.sub.1 are always 
omitted, because the main ring-line has no previously numbered ring-line, 
and the direction cipher of the main ring-line is always A. 
##STR6## 
Therefore, the series of [E.sub.e ] is 
##EQU18## 
(5) Variable E--(b) The Case of Group IV. 
The fusing site of the rings of Group IV is denoted by the variable E, 
which is indicated by the elemental variable V as 
EQU E.sub.e =V.sub.e 
The series of variable V.sub.e is described in the order or ring-numbers 
defined in section 7(3) variable D. The ring-numbers of the following two 
examples correspond to the node-numbers of the first example in 7(3). 
##STR7## 
Therefore, the series of variables 
##EQU19## 
of these examples are 
EQU [VPPMMPPPMMPPVPPMMVMMVMMPP.P] 
and 
EQU [VPPMMPPPMMPPVPPMMMVVMMMPP.P], 
respectively. Variables E.sub.e are separated by each other with a period. 
These ciphers are rewritten by using 
Arabic numerals to indicate the number of times of the identical ciphers 
are repeated. 
EQU [1.sup.V 2.sup.PM 3.sup.P 2.sup.MP 1.sup.V 2.sup.PM 1.sup.V 2.sup.M 1.sup.V 
2.sup.MP.1.sup.P ] 
and 
EQU [1.sup.V 2.sup.PM 3.sup.P 2.sup.MP 1.sup.V 2.sup.P 3.sup.M 2.sup.V 3.sup.M 
2.sup.P.1.sup.P ], 
respectively. 
The variable E for a monocycle is cited as prior as possible. The third 
example is denoted as 
EQU [5.sup.P 1.sup.MPM 2.sup.P 1.sup.M 2.sup.P 1.sup.M 2.sup.P 1.sup.MPM ] 
(6) Variables I, .alpha., and .epsilon. 
These variables denote locants, and locants of modification are denoted by 
the variable I. 
When the modification is bipedal, cited by EN, YN, SEC, CYCL, or DEHYDR, 
the variable I is indicated by two elemental variables, as 
EQU I=R:S 
and locants for point modification, DELE, HOM, NOR, HYDR, or HETER citing 
the replacement of skeletal atoms by hetero atoms, are indicated by an 
elemental variable, as 
EQU I=R 
In the series of variable 
##EQU20## 
for identical modifications, I's are separated with a comma from each 
other. 
The following examples show locants of modification EN, and HETER 
modification, respectively. 
##STR8## 
Variables .alpha. and .epsilon. denoting locants of free valence bonds are 
indicated similarly to I. 
8. GENERAL STRUCTURE OF COMPUTERIZED SYSTEM FOR NOTATION 
In order to implement the aforementioned notation process for chemical 
compounds, the preferred computer system comprises a computer 100, an 
input unit 110, a printer 122 and/or a display 124, and external storage 
such as data storage 132 for storing names and corresponding chemical 
formulae as previously named, program storage 134 and table storage 136, 
as shown in FIG. 1. As is well known, the computer 100 includes an 
input/output (I/O) unit 108, a central processing unit (CPU) 102, a 
random-access memory (RAM) 104 and a read-only-memory (ROM) 106. The input 
unit 110 comprises a graphic input unit 112 for performing data input in 
the form of chemical formulae and a text input unit 114 for performing 
data input in the form of alphanumeric characters. 
FIG. 2 shows an example of a display 124 adapted for graphic input. As seen 
in FIG. 2, during graphic input mode, the display 124 is divided into a 
major area 1241 in which the chemical formula input is displayed, a text 
line 1242 in which the name of the compound in accordance with the present 
invention is displayed, and a column 1243 showing the various possible 
segments of chemical compounds which may be selected to form the input 
chemical formula. 
The table storage 136 stores various tables, i.e. Tables 5 to 31-2 as 
disclosed later, used in implementing the computerized notation process 
according to the present invention. The tables are accessed during the 
naming process according to a notation program which will be set out with 
reference to FIG. 4 later. 
Before describing the computerized notation process of FIG. 4, a general 
discussion concerning application of the system of FIG. 1 will be briefly 
described with reference to FIG. 3, in which the general flowchart of 
selection of application mode of the system of FIG. 1 is illustrated. In 
the shown general flow, the graphic input and text input can be done in a 
step 1002. Depending on the type of input and according to the demand 
contained in input, the system performs three modes, i.e. APPLICATION A, 
APPLICATION B AND APPLICATION C, of operations. Mode selection is 
performed at steps 1004 and 1006. 
Application mode A (step 1008) is adapted to perform index search for 
locating similar structure of a chemical compound in the already known 
compounds which data is stored in the data storage. In order to enter the 
operation in Application mode A, the text input 114 is performed for entry 
of the name given by the notation process according to the invention. 
Application mode B (step 1010) is to give a name for a newly developed 
chemical compound. In this case, the chemical formula of the compound is 
entered by the graphic input 112. 
Application mode C (step 1012) is adapted to access the chemical formula by 
inputting the already known name of the chemical compound. 
One of the aforementioned nodes can be selected by inputting a command 
through the text input 1002. 
FIG. 4 is a flowchart of the notation program which assigns names to 
chemical compounds according to the preferred process as set out above. In 
the preferred embodiment, the chemical structure is input graphically 
immediately after starting execution, at a step 1202. The input chemical 
structure is broken down at a step 1204 into its individual constituent 
elements, radicals and carbon groups, according to which the fundamental 
structure is classified into one of the groups set out in the foregoing 
sub-sections 1 to 5, at a step 1206. According to the classification of 
the fundamental structure derived in the step 1206, a connection table, 
examples of which have been shown in FIGS. 5-1(A) to 5-5(I), is prepared 
at a step 1208. 
It should be noted that, in FIGS. 5-1(A) to 5-5(I), the number of the table 
identifies the numbering of atoms other than hydrogen atoms in the object 
compound. The order to number is standerized according to the 
predetermined rule, so that, a canonical connection table can be obtained. 
As will be seen from FIGS. 5-1(A) to 5-5(I), more than one connection 
table can be usually established for the object compound, because the 
order to number and traditional nomenclature rule are not related. For 
example, in the case of an aromatic compound, deletion or insertions of 
node are needed, so that, although they are analog compounds, they begin 
to have different node numbers. This is exemplified in FIG. 5-1(B). In 
order to avoid this, blank-nodes are used as shown in FIG. 5-1(A). 
Connection tables are essentially triangular matrices with rows and columns 
both being assigned to each of the non-hydrogen elements of the compound. 
The cells at which the row and column indices match identify the element 
at that point, e.g. the 1--1 cell reads "c", meaning a carbon atom. The 
remaining columns for each row designate the presence or absence of a 
connection between the row-indexed element and the column-indexed element 
and the strength of the connection (+1 means a single bond and so forth). 
This is explained in greater detail later. 
Step 1210 prepares one row of the connection table from the input formula. 
Step 1212 checks to see if the last row, i.e. the last major atom, has 
been completed and if not, returns control to step 1210 to fill in the 
next row. The steps 1210 and 1212 are repeated until all of the major 
components have been identified and cross-connected and entered into the 
connection table. 
After the connection table is completed by repeating the steps 1210 and 
1212, the resultant name is derived according to the inventive 
nomenclature system and displayed on the text line 1242 of the display 124 
or, alternatively, output as a print-out by the printer 122. 
The procedure for preparation of the connection table is disclosed in 
sub-section 9, in which tables stored in the table storage 136 are also 
illustrated. 
9. The method of preparation of the connection table for the computer 
processing 
Using the name on this nomenclature system, the connection table which is 
usually used for the computer graphics of the organic compounds can be 
prepared by the following method. 
The connection table has the form of a zero matrix which has plural rows 
and columns. All matrix elements other than the diagonal matrix elements 
are used to mean the bonding number between an atom and another atom, and 
the diagonal matrix elements are used to mean the species of the atoms. 
Each matrix row number relates to the sequential number of the atom of the 
organic compound which is to be treated by this method (other than the 
hydrogens) and is given in the following process. Each matrix column 
number is also given. 
The process is carried out in the order of the name of the components 
(previous section 2) in the complete name of the compound. 
Making the full connection table becomes an easy way to convert the name of 
the components to each connection table. 
To simplify this explanation, the following variables are used. 
[X, Y]: the matrix element X-th row, Y-th column 
[A] to [W]: variables described previous sections 
a: a-th element of variable [D] 
b: maximum number of element of variable [D] 
c: c-th element of variable [E] 
d: maximum number of element of variable [E] 
x: variable to use calculation, means that processing is carried about x-th 
element of variable [D] or variable [E] 
TN(xx,yy) means 
##EQU21## 
xx: value of start yy: value of final 
The method of converting the fundamental skeleton to the matrix must be 
selected by the case of variables-combination according to the table 5. 
TABLE 5 
______________________________________ 
variable [A] 
variable [B] meaning method 
______________________________________ 
none "AN" group-I (1) 
"CYCLO" "AN" group-II (2) 
none "AREN" group-III 
(3) 
"CYCLO" "AREN" group-IV (4) 
______________________________________ 
(1) The method (1) 
[X, Y] and the value of the matrix element are given according to the table 
6 using variable [E] of which element has the form (.sup.Rc Wc). 
TABLE 6 
______________________________________ 
value of X value of Y value of [X, Y] 
______________________________________ 
from 2 to TN(c=1,d) 
X-1 1 
TN(c=1,x) 1&lt;=x&lt;=c-1 
X-1 0 
1+TN(c-1,x) 2&lt;=x&lt;=c 
X-1 1 
______________________________________ 
(2) The method (2) 
[X, Y] and the value of the matrix element are given according to the table 
7 using variable [D] of which element has the form (.sup.Ra:Sa Wc). 
TABLE 7 
______________________________________ 
value of X value of Y 
value of [X, Y] 
______________________________________ 
from 2 to TN(a=1,b) 
X-1 1 
1+TN(a=1,x) 1&lt;=x&lt;=c-1 
X-1 0 
W.sub.1 1 1 
TN(a=1,x) 2&lt;=x&lt;=b Rx 1 
Sx 2&lt;=x&lt;=b TN(a=1,x) 1 
______________________________________ 
(3) The method (3) 
[X, Y] and the value of the element are given according to the information 
of variable [E] of which the element has the form (.sup.Uc-U'c, Vc Wc). 
In any case of group-III, the first element which means c=1 should be done 
according to the table 8. 
TABLE 8 
______________________________________ 
value of X value of Y value of [X, Y] 
______________________________________ 
6 1 9 
from 2 to 6 X-1 9 
from 8(y-1)+2 to X-1 9 
8(y-1)+4 
2&lt;=y&lt;=W.sub.1 
8(y-1)+1 2&lt;=y&lt;=W.sub.1 
X-7 9 
8(y-1)+4 2&lt;=y&lt;=W.sub.1 
X-9 9 
______________________________________ 
Next processing is selected according to the value of Vc, and then the 
value of c is from 2 to d, so that the range of x is from 2 to d. 
1st processing is according to the table 9. 
TABLE 9 
__________________________________________________________________________ 
value of 
value of 
Ux value of X Y [X,Y] 
__________________________________________________________________________ 
"A" 
8TN(C = 1, x - 1) + 8y + 2 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 1 
1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
8TN(C = 1, x - 1) + 6 X - 5 
9 
"B" 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 5 
9 
8TN(C = 1, x - 1) + 8y + 2 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 3 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 3 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
8TN(C = 1, x - 1) + 8y + 6 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
"C" 
8TN(C = 1, x - 1) + 8y + 2 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 5 
9 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
8TN(C = 1, x - 1) + 8y + 2 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
"D" 
8TN(C = 1, x - 1) + 2 x - 1 
9 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 5 
9 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 5 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 1 
1 &lt; = y &lt; = Wx - 1 
X - 3 
9 
8TN(C = 1, x - 1) + 8y + 4 
1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
"E" 
8TN(C = 1, x - 1) + 4 X - 1 
9 
8TN(C = 1, x - 1) + 8y + 6 
1 &lt; = y &lt; = Wx - 1 
X - 5 
9 
8TN(C = 1, x - 1) + 8y + 6 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 5 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 1 
1 &lt; = y &lt; = Wx - 1 
X - 3 
9 
8TN(C = 1, x - 1) + 8y + 4 
1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
"F" 
8TN(C = 1, x - 1) + 8y + 4 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 5 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 6 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 3 
1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
8TN(C = 1, x - 1) + 8y + 6 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
"G" 
8TN(C = 1, x - 1) + 8y + 3 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 4 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 5 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 6 
1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 2 
1 &lt; = y &lt; = Wx - 1 
X - 7 
9 
8TN(C = 1, x - 1) + 8y + 5 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
"H" 
8TN(C = 1, x - 1) + 8y + 4 
0 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(C = 1, x - 1) + 8y + 4 
1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
8TN(C = 1, x - 1) + 5 X - 1 
9 
__________________________________________________________________________ 
2nd processing is selected by the case of value Vx according to table 10. 
TABLE 10 
______________________________________ 
value of Vx 
method 
______________________________________ 
"A" (a) 
"B" or "C" 
(b) 
"D" (d) 
"E" (e) 
"F" or "G" 
(f) 
"H" (h) 
______________________________________ 
The method (a) 
If Wx=U'x then the connection table is completed according to the table 11, 
and in other cases the processing is continued after treating of table 11. 
TABLE 11 
__________________________________________________________________________ 
value 
value of 
case value of X of Y [X, Y] 
__________________________________________________________________________ 
U' x &gt; = 2 
8TN(c = 1, x - 1) + y 
5 &lt; = y &lt; = 6 
X - 1 
9 
8TN(c = 1, x - 1) + 8y + 3 
0 &lt; = y &lt; = U' x - 2 
X - 1 
9 
8TN(c = 1, x - 1) + 8y + 4 
0 &lt; = y &lt; = U' x - 2 
X - 1 
9 
8TN(c = 1, x - 1) + 8y + 4 
1 &lt; = y &lt; = U' x - 1 
X - 9 
9 
8TN(c = 1, x - 1) + 8(U' x - 2) + 3 
8Ux - 2 
9 
8TN(c = 1, x - 1) + 8(U' x - 1) + 2 
8Ux - 7 
9 
U' x = 1 
8TN(c = 1, x - 1) + 6 X - 7 
9 
8TN(c = 1, x - 1) + 2 8Ux - 7 
9 
8TN(c = 1, x - 1) + 5 8Ux - 2 
9 
U' x = 0 
8TN(c = 1, x - 1) + 6 8Ux - 7 
9 
__________________________________________________________________________ 
If Ux=TN(c=1, x-1) then the connection table is completed by the method 
according to the table 12. And in other cases the table 12 is not used. 
TABLE 12 
__________________________________________________________________________ 
value 
value of 
value of X of Y [X,Y] 
__________________________________________________________________________ 
8TN(c = 1, x - 1) + 8y + 3 
U' x &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(c = 1, x - 1) + 8y + 4 
U' x + 1 &lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(c = 1, x - 1) + 8y + 4 
U' x + 1 &lt; = y &lt; = Wx - 1 
X - 9 
9 
8TN(c = 1, x - 1) + 8U' x + 3 8Ux - 6 
9 
__________________________________________________________________________ 
If 8TN(c=1, x-1)-Ux&gt;=Wx-U'x then the processing is done according to table 
13 and in another case according to Table 14. 
TABLE 13 
______________________________________ 
Value of 
Value of X Value of Y [X, Y] 
______________________________________ 
8TN(c = 1, x - 1) + 8y + 2 
8(Ux + y) + 1 
9 
U' x &lt; = y &lt; = Wx - 1 
______________________________________ 
TABLE 14 
__________________________________________________________________________ 
Value 
of 
Value of X Value of Y [X,Y] 
__________________________________________________________________________ 
8TN(c = 1, x - 1) + 8y + 2 8(Ux + y) + 1 
9 
U' x &lt; = y &lt; = 8TN(c = 1, x - 1) - Ux + U' x 
8TN(c = 1, x - 1) + 8y + 3 X - 1 9 
8TN(c = 1, x - 1) - Ux + U' x &lt; = y &lt; = Wx - 1 
8TN(c = 1, x - 1) + 8y + 4 X - 1 9 
8TN(c = 1, x - 1) - Ux + U' x + 1 &lt; = y &lt; = Wx - 1 
8TN(c = 1, x - 1) + 8y + 3 8TN(c = 1, x - 1) - 6 
9 
y = 8TN(c = 1, x - 1) - Ux + U' x 
__________________________________________________________________________ 
The method (b). 
[X, Y] and the value of the matrix are given by the case of value of Ux and 
U'x such as table 15. 
TABLE 15 
__________________________________________________________________________ 
Value 
of 
Case Value of X Value of Y 
[X, Y] 
__________________________________________________________________________ 
U'x &gt; = 1 8TN(c = 1,x - 1) + 6 
X - 1 9 
8TN(c = 1,x - 1) + 5 
8Ux - 2 
9 
8TN(c = 1,x - 1) + 2 
8Ux - 7 
9 
Ux = 8TN(c = 1,x - 1) 
8TN(c = 1,x - 1) + 3 
X - 1 9 
8TN(c = 1,x - 1) + 4 
8Ux - 6 
9 
8TN(c = 1,x - 1) + 6 
8Ux - 7 
9 
U'x = 0 and 8TN(c = 1,x - 1) + 6 
8Ux - 7 
9 
Ux &lt; 8TN(c = 1,x - 1) 
8TN(c = 1,x - 1) + 2 
8Ux + 1 
9 
__________________________________________________________________________ 
The method (d) 
[X, Y] and the value of the matrix element are given according to table 16. 
TABLE 16 
______________________________________ 
Value of X Value of Y 
Value of [X, Y] 
______________________________________ 
8TN(c = 1,x - 1) + 3 
X - 9 9 
8TN(c = 1,x - 1) + 4 
X - 6 9 
______________________________________ 
The method (e) 
[X, y] and the value of the matrix element are given according to the table 
17. 
TABLE 17 
______________________________________ 
Value of X Value of Y 
Value of [X, Y] 
______________________________________ 
8TN(c = 1,x - 1) + 1 
X - 4 9 
8TN(c = 1,x - 1) + 2 
X - 6 9 
______________________________________ 
The method (f) 
[X, Y] and the value of the matrix are given by the case of value of Ux and 
U'x such as table 18. 
TABLE 18 
__________________________________________________________________________ 
Value of Value of 
Value of 
Case X Y [X, Y] 
__________________________________________________________________________ 
U'x &gt; = 1 8TN(c = 1,x - 1) + 6 
X - 1 9 
8TN(c = 1,x - 1) + 6 
8Ux - 3 
9 
8TN(c = 1,x - 1) + 3 
8Ux - 4 
9 
Ux = 8TN(c = 1,x - 1) 
8TN(c = 1,x - 1) + 3 
X - 1 9 
8TN(c = 1,x - 1) + 2 
8Ux - 5 
9 
8TN(c = 1,x - 1) + 5 
8Ux - 4 
9 
U'x = 0 and 8TN(c = 1,x - 1) + 6 
8Ux - 4 
9 
Ux &lt; 8TN(c = 1,x - 1) 
8TN(c = 1,x - 1) + 2 
8Ux + 4 
9 
__________________________________________________________________________ 
The method (h) 
If Wx=U'x then the connection table is complicated according to the table 
19, and in other cases the processing is continued after treating of table 
19. 
TABLE 19 
__________________________________________________________________________ 
Value 
Value 
of of 
Case Value of X Y [X, Y] 
__________________________________________________________________________ 
U'x &gt; = 2 
8TN(c = 1,x - 1) + 6 X - 5 
9 
8TN(c = 1,x - 1) + 6 X - 1 
9 
8TN(c = 1,x - 1) + 8y + 3 0 &lt; = y &lt; = U'x - 2 
X - 1 
9 
8TN(c = 1,x - 1) + 8y + 2 0 &lt; = y &lt; = U'x - 2 
X - 1 
9 
8TN(c = 1,x - 1) + 8y + 1 1 &lt; = y &lt; = U'x - 1 
X - 7 
9 
8TN(c = 1,x - 1) + 8(U'x - 2) +2 
8Ux - 3 
9 
8TN(c = 1,x - 1) + 8(U'x - 1) + 3 
8Ux - 4 
9 
U'x = 1 
8TN(c = 1,x - 1) + 6 X - 1 
9 
8TN(c = 1,x - 1) + 6 8Ux - 3 
9 
8TN(c = 1,x - 1) + 3 8Ux - 4 
9 
U'x = 0 
8TN(c = 1,x - 1) + 5 8Ux - 4 
9 
__________________________________________________________________________ 
If Ux=TN(c=1, x-1) then the connection table is complicated by the method 
according to the table 20. And in other cases the table 20 is neglected. 
TABLE 20 
__________________________________________________________________________ 
Value 
Value of 
Value of X of Y [X, Y] 
__________________________________________________________________________ 
8TN(c = 1,x - 1) + 8y + 3 U'x&lt; = y &lt; = Wx - 1 
X - 1 
9 
8TN(c = 1,x - 1) + 8y + 2 U'x + 1 &lt;= y &lt; = Wx - 1 
X - 1 
9 
8TN(c = 1,x - 1) + 8y + 1 U'x + 1 &lt;= y &lt; = Wx - 1 
X - 7 
9 
8TN(c = 1,x - 1) + 8U'x + 2 8Ux - 5 
9 
__________________________________________________________________________ 
If 8TN(c=1, x-1)-Ux&gt;=Wx-U'x then the processing is done according to table 
21 and in another case according to table 22. 
TABLE 21 
__________________________________________________________________________ 
Value Value of 
Value of X of Y [X, Y] 
__________________________________________________________________________ 
8TN(c = 1,x - 1) + 8y + 3 U'x &lt;= y &lt;= Wx - 1 
8(Ux + y) + 4 
9 
__________________________________________________________________________ 
TABLE 22 
__________________________________________________________________________ 
Value 
of 
Value of X Value of Y [X, Y] 
__________________________________________________________________________ 
8TN(c = 1,x - 1) + 8y + 3 8(Ux + y) + 4 
9 
U'x &lt;= y &lt;= 8TN(c = 1,x - 1) - Ux + U'x 
8TN(c = 1,x - 1) + 8y + 3 X - 1 9 
8TN(c = 1,x - 1) - Ux + U'x &lt; = y &lt; = Wx - 1 
8TN(c = 1,x - 1) + 8y + 2 X - 1 9 
8TN(c = 1,x - 1) - Ux + U'x + 1 &lt;= y &lt; = Wx - 1 
8TN(c = 1,x - 1) + 8y + 1 X - 7 9 
8TN(c = 1,x - 1) - Ux + U'x + 1 &lt;= y &lt; = Wx - 1 
8TN(c = 1,x - 1) + 8y + 2 8TN(c = 1,x - 1) - 5 
9 
y = 8TN(c = 1,x - 1) - Ux + U'x 
__________________________________________________________________________ 
(4) The method (4) 
[X, Y] and the value of the matrix element are given by the information of 
variable [D] of which the element has the form [Ra:Sa.sub.Wa ] and 
variable [E] of which the element has the form (Vc). 
In this case variable [z] is used, and z means z-th element of variable 
[E]. 
EQU 1&lt;=z&lt;=d 
At first, the processing is done according to the table 23. 
TABLE 23 
______________________________________ 
Value of 
Value of X Value of Y 
[X,Y] 
______________________________________ 
6 1 9 
y 6 &lt; = y &lt; = 5 X - 1 9 
8(z - 1) + 4 1 &lt; = y &lt; = d 
X - 1 9 
8(z - 1) + 3 1 &lt; = z &lt; = d 
X - 1 9 
8(z - 1) + 2 1 &lt; = z &lt; = d 
X - 1 9 
8TN(a - 1,x) - 2 1 &lt; = x &lt; = b 
X - 1 0 
8TN(a = 1,x) - 3 1 &lt; = x &lt; = b 
X - 1 0 
8TN(a = 1,x) - 4 1 &lt; = x &lt; = b 
X - 1 0 
8TN(a = 1,x - 1) + 2 2 &lt; = x &lt; = b 
X - 1 0 
8TN(a = 1,x - 1) + 3 2 &lt; = x &lt; = b 
X - 1 0 
8TN(a = 1,x - 1) + 4 2 &lt; = x &lt; = b 
X - 1 0 
______________________________________ 
2nd processing is selected by the value of the Vz according to the table 
25. But in the case of following values of z, the processing may not be 
done. 
z=8TN(a=1, x)+1, 1&lt;=x&lt;=b-1 
z=8TN(a=1, x), 1&lt;=x&lt;=b 
TABLE 25 
______________________________________ 
Value of Value of Value of Value of 
Vz X Y [X, Y] 
______________________________________ 
"V" 8z + 1 8z - 7 9 
8z + 4 8z - 6 9 
"P" 8x + 1 8z - 6 9 
8z + 4 8z - 5 9 
"M" 8z + 1 8z - 5 9 
8z + 4 8z - 4 9 
______________________________________ 
The processing is done about 1st-Wx according to table 26. 
TABLE 26 
______________________________________ 
Value of 
Value of Value of Value of 
Value of 
Vz Vz X Y [X, Y] 
______________________________________ 
"V" every case 8z-4 8z-5 9 
8z-4 5 9 
"V" 8z-7 8z-15 0 
8z-15 6 9 
"P" 8z-7 8z-14 0 
8z-14 6 9 
"M" 8z-7 8z-13 0 
8z-13 6 9 
"P" every case 8z-7 6 9 
8z-4 5 9 
"M" every case 8z-6 8z-7 9 
8z-6 6 9 
"V" 8z-4 8z-14 0 
8z-14 5 9 
"P" 8z-4 8z-13 0 
8z-13 5 9 
"M" 8z-4 8z-12 0 
8z-12 5 9 
______________________________________ 
In the case Wx=0, the processing is done according to the table 27. 
TABLE 27 
______________________________________ 
Value of Value of Value of Value of 
V.sub.Sx X Y [X, Y] 
______________________________________ 
every case 8Sx-4 8Sx-5 0 
8Sx-5 8Sx-6 0 
8Sx-6 8Rx-4 9 
"V" 8Sx-4 8Sx-14 0 
8Sx-14 8Rx-5 9 
"P" 8Sx-4 8Sx-13 0 
8Sx-13 8Rx-5 9 
"M" 8Sx-4 8Sx-12 0 
8Sx-12 8Rx-5 9 
______________________________________ 
In the case Wx=1, the processing is done according to the table 28 or the 
table 29. 
If R'x is none then the processing is done according to the table 28-1 and 
the table 28-2. 
TABLE 28-1 
______________________________________ 
Value Value Value 
of of of 
S'x V.sub.TN(a=1,x) 
Value of X Value of Y 
[X,Y] 
______________________________________ 
none "V" 8Sx-4 8Rx-5 9 
8TN(a=1,x)-5 
8Sx-5 9 
8TN(a=1,x)-4 
8TN(a=1,x)-5 
9 
8TN(a=1,x)-4 
8Rx-4 9 
"P" 8TN(a=1,x)-7 
8Rx-5 9 
8TN(a=1,x)-7 
8Sx-4 9 
8TN(a=1,x)-4 
8Rx-4 9 
8TN(a=1,x)-4 
8Sx-5 9 
"M" 8TN(a=1,x)-7 
8Rx-5 9 
8TN(a=1,x)-6 
8TN(a-1,x)-7 
9 
8TN(a=1,x)-6 
8Sx-4 9 
8Sx-5 8Rx-4 9 
______________________________________ 
TABLE 28-2 
______________________________________ 
Value Value Value Value Value 
of of of of of 
S'x V.sub.TN(a=1,x) 
V.sub.Sx 
Value of X 
Y [X,Y] 
______________________________________ 
Sx+1 "V" every 8TN(a=1,x)-4 
8S'x-4 
9 
case 8TN(a=1,x)-4 
8Rx-4 9 
"V" 8Sx-5 8Rx-5 9 
"P" 8Sx-4 8Rx-5 9 
"P" every 8TN(a=1,x)-7 
8Rx-5 9 
case 8S'x-4 8Rx-4 9 
"V" 8TN(a=1,x)-7 
8Sx-5 9 
"P" 8TN(a=1,x)-7 
8Sx-4 9 
______________________________________ 
If S'x is none then the processing is done according to the table 29. 
TABLE 29 
______________________________________ 
Value 
Value of Value Value Value Value 
of VTN of of of of 
R'x (a=1,x) VRx X Y [X,Y] 
______________________________________ 
Rx+1 "P" every 8R'x-4 8Sx-4 9 
case 8TN(a=1,x)-3 
8Sx-5 9 
"V" 8TN(a=1,x)-3 
8Rx-5 9 
"P" 8TN(a=1,x)-3 
8Rx-4 9 
"M" every 8TN(a=1,x)-6 
8Sx-4 9 
case 8TN(a=1,x)-6 
8R'x-4 
9 
"V" 8Sx-4 8Rx-5 9 
"P" 8Sx-4 8Rx-4 9 
______________________________________ 
In the case Wx&gt;=2, the processing is done according to following tables. 
The table 30-1 is applied to the processing of {TN(a=1, x-1)+1}th Vz, where 
2&gt;=x&gt;=b and R'x is none, and if R'x=Rx+1 then according to the table 30-2. 
TABLE 30-1 
__________________________________________________________________________ 
Value Value 
of Value of of 
R'x V.sub.TN(a=1,x-1)+1 
Value of X Value of Y [X,Y] 
__________________________________________________________________________ 
none 
every case 8TN(a=1,x-1)+4 
8TN(a=1,x-1)+3 
9 
8TN(a=1,x-1)+3 
8TN(a=1,x-1)+2 
9 
8TN(a=1,x-1)+2 
8TN(a=1,x-1)+1 
9 
8TN(a=1,x-1)+4 
Rx-4 9 
8TN(a=1,x-1)+1 
Rx-5 9 
"V" 8TN(a=1,x-1)+1 
8TN(a=1,x-1)+9 
9 
8TN(a=1,x-1)+2 
8TN(a=1,x-1)+12 
9 
"P" 8TN(a=1,x-1)+2 
8TN(a=1,x-1)] 
9 
8TN(a=1,x-1)+3 
8TN(a=1,x-1)+12 
9 
"M" 8TN(a=1,x-1)+3 
8TN(a=1,x-1)+9 
9 
8TN(a=1,x-1)+4 
8TN(a=1,x-1)+12 
9 
__________________________________________________________________________ 
TABLE 30-2 
__________________________________________________________________________ 
Value of 
Value 
Value of Value of 
Value of 
Value of 
R'x of V.sub.Rx 
V.sub.TN(a=1,x-1)+1 
X Y [X, Y] 
__________________________________________________________________________ 
Rx+1 every 
every case 
8TN(a=1, 
8TN(a=1, 
9 
case x-1)+4 
x-1)+3 
8TN(a=1, 
8TN(a=1, 
9 
x-1)+3 
x-1)+2 
8TN(a=1, 
8R'x-4 
9 
x-1)+2 
"P" 8TN(a=1, 
8TN(a=1, 
9 
x-1)+2 
x-1)+9 
8TN(a=1, 
8TN(a=1, 
9 
x-1)+3 
x-1)+12 
"M" 8TN(a=1, 
8TN(a=1, 
9 
x-1)+3 
x-1)+9 
8TN(a=1, 
8TN(a=1, 
9 
x-1)+4 
x-1)+12 
"V" 8TN(a=1, 
RX-5 9 
x-1)+4 
"N" 8TN(a=1, 
RX-4 9 
X-1)+4 
__________________________________________________________________________ 
The table 31-1 is applied to the processing of {TN(a=1, x)th Vz, where 
2&gt;=x&gt;=b and S'x is none, and if S'x=Sx+1 then according to the table 31-2. 
TABLE 31-1 
__________________________________________________________________________ 
Value 
Value 
Value Value 
of of of of 
S'x V.sub.Sx 
V.sub.TN(a=1,x) 
Value of X 
Value of Y 
[X,Y] 
__________________________________________________________________________ 
none 
"V" every 8TN(a=1,x)-5 
8Sx-4 9 
case 8TN(a=1,x)-4 
8TN(a=1,x)-5 
9 
"V" 8TN(a=1,x)-7 
8TN(a=1,x)-15 
0 
8TN(a=1,x)-15 
8Sx-5 9 
"P" 8TN(a=1,x)-7 
8TN(a=1,x)-14 
0 
8TN(a=1,x)-14 
8Sx-5 9 
"M" 8TN(a=1,x)-7 
8TN(a=1,x)-13 
0 
8TN(a=1,x)-13 
8Sx-5 9 
"P" 8TN(a=1,x)-7 
8Rx-4 9 
8TN(a=1,x)-4 
8Rx-5 9 
"M" every 8TN(a=1,x)-6 
8TN(a=1,x)-7 
9 
case 8TN(a=1,x)-6 
8Rx-4 9 
"V" 8TN(a=1,x)-4 
8TN(a=1,x)-14 
0 
8TN(a=1,x)-13 
8Sx-5 9 
"P" 8TN(a=1,x)-4 
8TN(a=1,x)- 13 
0 
8TN(a=1,x)-14 
8Sx-5 9 
"M" 8TN(a=1,x)-4 
8TN(a=1,x)-12 
0 
8TN(a=1,x)-12 
8Sx-5 9 
__________________________________________________________________________ 
TABLE 31-2 
__________________________________________________________________________ 
Value Value Value Value 
of Value of 
Value of 
Value 
of of of 
S'x V.sub.TN(a=1,x) 
V.sub.TN(a=1,x)-1 
of V.sub.Sx 
X Y [X,Y] 
__________________________________________________________________________ 
Sx+1 
"V" every case 8TN(a=1, 
8S'x-4 
9 
x)-4 
"V" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-7 x)-15 
"V" 8TN(a=1, 
8Sx-5 9 
x)-15 
"P" 8TN(a=1, 
8Sx-4 9 
x)-15 
"P" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-7 x)-14 
"V" 8TN(a=1, 
8Sx-5 9 
x)-14 
"P" 8TN(a=1, 
8Sx-4 9 
x)-14 
"M" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-7 x)-13 
" V" 
8TN(a=1, 
8Sx-5 9 
x)-13 
"P" 8TN(a=1, 
8Sx-5 9 
x)-13 
"P" every case 
"V" 8TN(a=1, 
8Sx-5 9 
x)-7 
"P" 8TN(a=1, 
8Sx-4 9 
x)-7 
"V" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-4 x)-14 
"V" 8TN(a=1, 
8Sx-5 9 
x)-14 
"P" 8TN(a=1, 
8Sx-4 9 
x)-14 
"P" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-4 x)-13 
"V" 8TN(a=1, 
8Sx-5 9 
x)-13 
"P" 8TN(a=1, 
8Sx-4 9 
x)-13 
"M" every 
8TN(a=1, 
8TN(a=1, 
0 
case 
x)-4 x)-12 
"V" 8TN(a=1, 
8Sx-5 9 
x)-12 
"P" 8TN(a=1, 
8Sx-4 9 
x)-12 
__________________________________________________________________________ 
EXAMPLES 
1. The structures of 16 organic compounds and their names according to this 
nomenclature system are set forth immediately below as an illustration of 
the operation of this nomenclature system. The name of organic compounds 
of this nomenclature are following according to the FIG. 1. 
1. deca[7.sup.3 1.sup.4 2]carbane 
2. octa[6.sup.3 2]carban-2-en-4-yne 
3. octa[6.sup.2 1.sup.4 1]carban-4:8-ene 
4. tricycloundeca[11.sup.1:5 0.sup.2:7 0]carbane 
5. dicyclotrideca[12.sup.1:7 1]carban-1,6,9-triene 
6. undeca[5.sup.1-1A 1.sup.2C 2.sup.8A 1.sup.3G 2]arene 
7. cycloocta[8.sup.M ]arene 
8. dicyclohexacosa[26.sup.1:13 1][1.sup.V 2.sup.PM 3.sup.P 2.sup.MP 1.sup.V 
2.sup.P 3.sup.M 2.sup.V 3.sup.M 2.sup.P.1.sup.P ]arene 
9. tetra[4]areno-2.sup.6Z -homo-3.sup.4 -norade 
10. tetra[4]areno-2.sup.4,3.sup.4 -dinorade 
11. hexa[6]areno-1.sup.6,2.sup.4,3.sup.4,4.sup.4,5.sup.4,6.sup.4 
-hexanor-1.sup.4 :6.sup.3 -cyclade 
12. diareno-2:3-didehydrade 
13. trideca[5.sup.1A 4.sup.1A 4]areno-2.sup.2:3 -seco-5.sup.3Z 
-home-1.sup.6 -nor-1.sup.5,5.sup.2/3Z -tetrahydrade 
14. tri[3]areno-1.sup.6,3.sup.4 -dinor-1.sup.4,3.sup.1 
-dihydro-1.sub.1,3.sup.3 -diaza-1.sup.4 -selena-3.sup.1 -sulfade 
15. dicycloheptadeca[16.sup.1:9 
1]carbano-1,4,6,9,12,14-hexaaza-3,7,10,16-tetrasulfade 
16. cyclooctacarbano-1-(azayl-2-dicarbano-1-ylazylcarbazantazent) 
##STR9## 
2. The structures of 35 pharmaceutical compounds and their names according 
to the present nomenclature system are set forth immediately below. 
1: bi[dicarbano-1-chlorant[-2,2'-biylazcarbantoxent 
2: tetra[4]carbano-1,4-diyloxylsulfbioxentcarbant 
3: octa[5..sup.2 1..sup.2 1..sup.3 1]carbano-1,6-diyloxylcarbazantoxent 
4: 
bi[cyclooctacarbano-1-(azayl-2-dicarbano-1-ylazylcarbazant-azent)]sulfate 
5: ter[tricarbanoaza]-1,1',1"-terylphosphsulfent 
6: 
cyclohexacarbano-1-aza-3-oxa-2-(phosphaoxentylazdiyl-2-dicarbano-1-chloran 
t) 
7: dicyclodeca[6..sup.1:1 
4]carbano-4,7,9-triaza-10-oxent-7-ylarene-4-yl-4-tetra[4]carbano-1-(oxenty 
l-4-areno-1-fluorant) 
8: 
bi[norareno-1-(hydrosulfa)]-2,2'-biylcarbyliden-5-cyclohexacarbano-1-azaiu 
m-1,1-bicarbant-3-yloxcarbant 
9: 
nordiareno-1/3-trihydro-1,3-diaza-2-oxent-1-yl-6-cyclohexa-carbano-1-(azay 
l-4-tetra[4]carbano-1,1-diyl-4-areno-1-fluorant) 
10: bi[cyclopentacarbano-1-(azaiumcarbant)]-1,1'-biyl-1,3-tricarbane 
bi[tetra[4]carbano-1-acid-4-acidate-2,3-dioxant] 
11: cyclopentacarbanoaza-2-oxent-1-yl-1-trideca[12..sup.6 
1]carban-2,4,6-trieno-8-oxant-1-oxent 
12: 
cyclohexacarbanen-3,5-diaza-1-fluorant-4,6-dioxent-3-yl-2-cyclopentacarban 
ooxade 
13: bi[arenoyl-2-tricarbano-1-(acidoyl-6-dicycloocta[7..sup.1:4 
1]-carbano-8-(azaiumcarbant))-3-oxant]sulfate 
14: biarenobiyl-2,2-dicarbano-1-(acidoyl-6-tricyclododeca[7..sup.1:4 
1.sup.8:8 4]carbano-8-azaium)-2-oxant chloride 
15: arenoyl-2-tricarbano-1-(acidoyl-7-tricyclonona[8..sup.1:5 1..sup.2:4 
0]-carbano-9-azaium-3-oxa-9,9-dicarbant)-3-oxant bromide 
16: dicycloocta[7..sup.1:4 
1]carbano-6-azaium-1,6,8,8-tetracarbant-6-yl-3-tricarbano-1-ylaziumtercarb 
ant bi[carbanoyloxysulfbiox-acidate] 
17: decyclohepta[6..sup.1:4 1]carbano-2,2,3-tricarbant-3-ylazcarbant 
hydrochloride 
18. 
diareno-1/4-tetrahydro-2,4-diaza-1-(sulfabioxent)-6-(ylcarb-terfluorant)-3 
-yl-1-hexa[6]carbane-7-ylsulfazantbioxent 
19. disodium 
trinordiarenoperhydro-2Z-aza-5-sulfa-4,4-dicarbant-2-oxent-3-(ylcarbacidat 
e)-1-ylazyl-2-dicarbano-2-oxent-1-ylarene-1-ylsulfbioxacidate 
20: 
dinordiareno-1/2Z,5/6Z-hexahydro-2Z-aza-6-sulfa-4-carbant-2-oxent-1-(ylazy 
l-2-dicarbano-1-azant-2-oxent-1-ylarene)-3-ylcarbacid 
21: 
diareno-1,3,5,8-tetraaza-2,4-diazant-6-ylcarbylazacarbant-yl-4-areno-1-ylc 
arboxentylazyl-2-penta[5]carbano-1,5-diacid 
22: diareno-2,3-diaza-1-yl-2-diazano-1-yloxyl-1-tricarbano-1-oxent 
hydrochloride 
23: 
nordiareno-1/3-trihydro-1-oxa-2:2-(biyl-1,5-hexa[6]carban-1-eno-3-oxent-1- 
yloxcarbant)-7-chlorant-3-oxent-4,6-diylox-carbant 
24: 
nordiareno-1/3-trihydro-2-aza-1-oxant-3-oxent-1-yl-4-areno-1-chlorant-2-yl 
sulfazantbioxent 
25: diareno-2-aza-1-(ylcarbyl-4-areno-1,2-diyloxcarbant)-6,7-diyloxcarbant 
hydrochloride 
26: 
homodiareno-7-hydro-5,8-diaza-2-chlorant-8-oxent-9-ylarene-6-ylazcarbant 
27: tri[2.sup.A 1]areno-2.sup.4z -homo-1.sup.6 -nor-1,2.sup.3/4z 
-octahydro-1.sup.3,2.sup.3 -diaza-1.sup.1 -oxa-3.sup.1 -chlorant-2.sup.4 
-oxent-1.sup.2 -yl-2-areno-1-chlorant 
28: tri[3]areno-2.sup.1,4 -dihydro-2.sup.1 -aza-2.sup.4 -sulfa-1.sup.6 
-chlorant-2.sup.1 -yl-3-tricarbano-1-ylazbicarbant 
29: tri[3]areno-2.sup.1,4 -dihydro-2.sup.1 -sulfa-2.sup.4 
-(yliden-3-tricarbano-1-yl-4-cyclohexacarbano-1,4-diaza-1-carbant)-1.sup.6 
-ylsulf-bioxentylazbicarbant 
30: tri[3]areno-2.sup.6z -homo-2.sup.4 -hydro-2.sup.1 -aza-2.sup.4 
-sulfa-1.sup.6 -chlorant-2.sup.6z 
-yl-4-cyclohexacarbano-1,4-diaza-1-carbant 
31: tri[3]areno-2.sup.4 -nor-1.sup.1:5 -cyclo-1,2.sup.1,3.sup.1, 
4-nonahydro-1.sup.3,6 -diaza-3.sup.2 -azant-3.sup.3 -carbant-2.sup.1 
-(ylcarbyloxylcarbazantoxent)-1.sup.2 -yloxcarbant 
32: tetra[4]areno-1.sup.1/4,2.sup.1,2 3.sup.1,4 -octahydro-3.sup.1 -carbant 
-1.sup.3,6,2.sup.4,-3.sup.1,4.sup.4 -pentaoxant-1.sup.4,3.sup.4 
-dioxent-1.sup.1 -(ylazbicarbant)-1.sup.5 -ylcarb-azantoxent 
33: penta[3.sup.A 2]areno-4.sup.6 -nor-2.sup.3, 4.sup.1 
-diaza-1,2,3.sup.3,4 -dodecahydro-1.sup.1 
-(ylcarbacidocarbant)-1.sup.6,5.sup.2 -di(yloxcarbant)-1.sup.5 
-yloxylcarb-oxentyl-5-areno-1,2,3-triyloxcarbant 
34: tetra[3.sup.A 1]areno-2.sup.1 -nor-2,3,4.sup.1,6 
-nonahydro-2.sup.4,4.sup.6 -diaza-2.sup.2 :4.sup.6 
-biyl-1,2-dicarbane-3.sup.4 -(oxantylcarbacidocarbant)-2.sup.4 
-(ylcarb-oxent)-3.sup.2 -yldicarbane-1.sup.5 -(yloxcarbant)-3.sup.3 
-(yloxyl-1-di-carbanooxent)-1.sup.6 -yl-7-dicycloundeca[10..sup.1:5 
1]carbano-1-aza-8(2:3)-(nordiareno-1-(hydroazade))-3-oxant-7-(ylcarbacido- 
carbant)-3-yldicarbane 
35: tetra[3.sup.A 1]areno-2,3,4-dodecahydro-2.sup.4 -oxa-2.sup.1 :3.sup.1 
-biyl-1,2-(dicarbanooxade)-1.sup.5,2.sup.3,4.sup.3,3 -tetracarbant-1.sup.1 
-oxant 
##STR10## 
In order to further facilitate better understanding of the preferred 
process according to the present invention, a print-out of a computer 
program according to the present invention has been submitted as an 
appendix which is retained in the file of this patent. The appended 
program was written for a "FACOM 9450-II" to run under the APCS operating 
system and business BASIC.