DOI: 10.14272/vllplmljcxubkt-uhfffaoysa-n.1
title: C108H108S21Si8
title: InChI=1S/C108H108S21Si8/c1-130(2,3)95-47-39-79(116-95)91-57-63(105(126-91)85-43-51-99(120-85)134(13,14)15)69-27-33-77(111-69)89-55-61(103(124-89)83-37-29-71(113-83)65-59-93(81-41-49-97(118-81)132(7,8)9)128-107(65)87-45-53-101(122-87)136(19,20)21)67-25-31-73(109-67)75-35-36-76(115-75)74-32-26-68(110-74)62-56-90(78-34-28-70(112-78)64-58-92(80-40-48-96(117-80)131(4,5)6)127-106(64)86-44-52-100(121-86)135(16,17)18)125-104(62)84-38-30-72(114-84)66-60-94(82-42-50-98(119-82)133(10,11)12)129-108(66)88-46-54-102(123-88)137(22,23)24/h25-60H,1-24H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C108H108S21Si8/c1-130(2,3)95-47-39-79(116-95)91-57-63(105(126-91)85-43-51-99(120-85)134(13,14)15)69-27-33-77(111-69)89-55-61(103(124-89)83-37-29-71(113-83)65-59-93(81-41-49-97(118-81)132(7,8)9)128-107(65)87-45-53-101(122-87)136(19,20)21)67-25-31-73(109-67)75-35-36-76(115-75)74-32-26-68(110-74)62-56-90(78-34-28-70(112-78)64-58-92(80-40-48-96(117-80)131(4,5)6)127-106(64)86-44-52-100(121-86)135(16,17)18)125-104(62)84-38-30-72(114-84)66-60-94(82-42-50-98(119-82)133(10,11)12)129-108(66)88-46-54-102(123-88)137(22,23)24/h25-60H,1-24H3, and canonical SMILES descriptor[cheminf_000007]: C[Si](c1ccc(s1)c1sc(cc1c1ccc(s1)c1sc(cc1c1ccc(s1)c1ccc(s1)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)c1cc(sc1c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-51670

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations