4-[[3-[6-methoxy-1-(4-nonylphenyl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[6-methoxy-1-(4-nonylphenyl)-2-oxidanyl-6-oxidanylidene-hexyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[2-hydroxy-6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-[[2-hydroxy-6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]anilino]-4-keto-butyric acid Formula: C32H45NO6S MolecularWeight: 571.7678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C32H45NO6S/c1-3-4-5-6-7-8-9-12-24-17-19-25(20-18-24)32(28(34)15-11-16-31(38)39-2)40-27-14-10-13-26(23-27)33-29(35)21-22-30(36)37/h10,13-14,17-20,23,28,32,34H,3-9,11-12,15-16,21-22H2,1-2H3,(H,33,35)(H,36,37)