9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid

Systemtic Name: 9-(2-hexylphenyl)carbothioyl-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Openeye Name: 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid CAS Name: 9-[(2-hexylphenyl)-sulfanylidenemethyl]-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid IUPAC Name: 9-(2-hexylbenzenecarbothioyl)-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Traditional Name: 9-(2-hexylthiobenzoyl)-5-(5-phenylpentyl)-2,4-dihydro-1H-carbazole-3,3-dicarboxylic acid Formula: C38H43NO4S MolecularWeight: 609.81732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(CC(CC3)(C(=O)O)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=S)N2C3=C(CC(CC3)(C(=O)O)C(=O)O)C4=C(C=CC=C42)CCCCCC5=CC=CC=C5

InChI

InChI=1S/C38H43NO4S/c1-2-3-4-10-18-28-19-12-13-22-30(28)35(44)39-32-24-25-38(36(40)41,37(42)43)26-31(32)34-29(21-14-23-33(34)39)20-11-6-9-17-27-15-7-5-8-16-27/h5,7-8,12-16,19,21-23H,2-4,6,9-11,17-18,20,24-26H2,1H3,(H,40,41)(H,42,43)