Molecule ID: 23847176

IUPAC Name: acetyl 4-(chloromethyl)-2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoate

Description: The molecule is a member of the class of xanthenes that is the acetic anhydride of dihydrofluorescein diacetate carrying additional chloro substituents at positions 2 and 7 as well as a chloromethyl substituent para to the anhydride function. It is an acetate ester, an acyclic carboxylic anhydride, an organochlorine compound and a member of xanthenes. It derives from a fluorescein.

SMILES: CC(=O)OC(=O)c1ccc(CCl)cc1C1c2cc(Cl)c(OC(C)=O)cc2Oc2cc(OC(C)=O)c(Cl)cc21

SELFIES: [C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2][C][C][=C][C][Branch1][C][Cl][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][Ring2][Ring1][Branch2]

InChI: InChI=1S/C27H19Cl3O8/c1-12(31)35-24-9-22-18(7-20(24)29)26(19-8-21(30)25(36-13(2)32)10-23(19)38-22)17-6-15(11-28)4-5-16(17)27(34)37-14(3)33/h4-10,26H,11H2,1-3H3

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 5.7