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

Systemtic Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxo-hexyl]sulfanylbenzoic acid CAS Name: 3-[[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]thio]benzoic acid IUPAC Name: 3-[6-methoxy-1-(4-nonylphenyl)-6-oxohexyl]sulfanylbenzoic acid Traditional Name: 3-[[6-keto-6-methoxy-1-(4-nonylphenyl)hexyl]thio]benzoic acid Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4S/c1-3-4-5-6-7-8-9-13-23-18-20-24(21-19-23)27(16-10-11-17-28(30)33-2)34-26-15-12-14-25(22-26)29(31)32/h12,14-15,18-22,27H,3-11,13,16-17H2,1-2H3,(H,31,32)