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

Systemtic Name: 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Openeye Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid CAS Name: 7-chloro-6-(hexylthio)-9-[oxo-(4-phenoxyphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid IUPAC Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid Traditional Name: 7-chloro-6-(hexylthio)-9-(4-phenoxybenzoyl)-1,2,3,4-tetrahydrocarbazole-3-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)CCC(C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

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