2-methoxy-7-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-quinoline-3-carboxylic acid

Systemtic Name: 2-methoxy-7-[1-(4-nonylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-quinoline-3-carboxylic acid Openeye Name: 7-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanyl-2-methoxy-quinoline-3-carboxylic acid CAS Name: 7-[[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]-2-methoxy-3-quinolinecarboxylic acid IUPAC Name: 7-[2,6-dihydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanyl-2-methoxyquinoline-3-carboxylic acid Traditional Name: 7-[[2,6-dihydroxy-6-keto-1-(4-nonylphenyl)hexyl]thio]-2-methoxy-quinoline-3-carboxylic acid Formula: C32H41NO6S MolecularWeight: 567.73604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC3=NC(=C(C=C3C=C2)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)SC2=CC3=NC(=C(C=C3C=C2)C(=O)O)OC

InChI

InChI=1S/C32H41NO6S/c1-3-4-5-6-7-8-9-11-22-14-16-23(17-15-22)30(28(34)12-10-13-29(35)36)40-25-19-18-24-20-26(32(37)38)31(39-2)33-27(24)21-25/h14-21,28,30,34H,3-13H2,1-2H3,(H,35,36)(H,37,38)