8-chloranyl-6-hexoxy-9-(4-propan-2-ylphenyl)carbothioyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 8-chloranyl-6-hexoxy-9-(4-propan-2-ylphenyl)carbothioyl-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 8-chloro-6-hexoxy-9-(4-isopropylbenzenecarbothioyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 8-chloro-6-hexoxy-9-[(4-propan-2-ylphenyl)-sulfanylidenemethyl]-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 8-chloro-6-hexoxy-9-(4-propan-2-ylbenzenecarbothioyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 8-chloro-6-hexoxy-9-(4-isopropylthiobenzoyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C30H34ClNO5S MolecularWeight: 556.11266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C2C(=C1)C3=C(N2C(=S)C4=CC=C(C=C4)C(C)C)CCC(C3)(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCCCOC1=CC(=C2C(=C1)C3=C(N2C(=S)C4=CC=C(C=C4)C(C)C)CCC(C3)(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C30H34ClNO5S/c1-4-5-6-7-14-37-21-15-22-23-17-30(28(33)34,29(35)36)13-12-25(23)32(26(22)24(31)16-21)27(38)20-10-8-19(9-11-20)18(2)3/h8-11,15-16,18H,4-7,12-14,17H2,1-3H3,(H,33,34)(H,35,36)