3-[1-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid

Systemtic Name: 3-[1-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 3-[6-hydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylbenzoic acid CAS Name: 3-[[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]benzoic acid IUPAC Name: 3-[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylbenzoic acid Traditional Name: 3-[[6-hydroxy-6-keto-1-(4-nonylphenyl)hexyl]thio]benzoic acid Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCC(=O)O)SC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C28H38O4S/c1-2-3-4-5-6-7-8-12-22-17-19-23(20-18-22)26(15-9-10-16-27(29)30)33-25-14-11-13-24(21-25)28(31)32/h11,13-14,17-21,26H,2-10,12,15-16H2,1H3,(H,29,30)(H,31,32)