7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid

Systemtic Name: 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Openeye Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid CAS Name: 7-chloro-6-(hexylthio)-9-[oxo-(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid IUPAC Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Traditional Name: 7-chloro-6-(hexylthio)-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid Formula: C32H32ClNO4S MolecularWeight: 562.11878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CCCC3C(=O)O)Cl

Isomeric SMILES

CCCCCCSC1=C(C=C2C(=C1)C3=C(N2C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5)CCCC3C(=O)O)Cl

InChI

InChI=1S/C32H32ClNO4S/c1-2-3-4-8-18-39-29-19-25-28(20-26(29)33)34(27-13-9-12-24(30(25)27)32(36)37)31(35)21-14-16-23(17-15-21)38-22-10-6-5-7-11-22/h5-7,10-11,14-17,19-20,24H,2-4,8-9,12-13,18H2,1H3,(H,36,37)