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

Systemtic Name: 4-[1-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 4-[6-hydroxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylbenzoic acid CAS Name: 4-[[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]thio]benzoic acid IUPAC Name: 4-[6-hydroxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylbenzoic acid Traditional Name: 4-[[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H38O4S/c1-2-3-4-5-6-7-8-11-22-14-16-23(17-15-22)26(12-9-10-13-27(29)30)33-25-20-18-24(19-21-25)28(31)32/h14-21,26H,2-13H2,1H3,(H,29,30)(H,31,32)