7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 7-chloranyl-6-hexylsulfanyl-9-(4-phenoxyphenyl)carbonyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 7-chloro-6-(hexylthio)-9-[oxo-(4-phenoxyphenyl)methyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 7-chloro-6-hexylsulfanyl-9-(4-phenoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 7-chloro-6-(hexylthio)-9-(4-phenoxybenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C33H32ClNO6S MolecularWeight: 606.12828

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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)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)C(=O)O)Cl

InChI

InChI=1S/C33H32ClNO6S/c1-2-3-4-8-17-42-29-18-24-25-20-33(31(37)38,32(39)40)16-15-27(25)35(28(24)19-26(29)34)30(36)21-11-13-23(14-12-21)41-22-9-6-5-7-10-22/h5-7,9-14,18-19H,2-4,8,15-17,20H2,1H3,(H,37,38)(H,39,40)