4-[5-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid

Systemtic Name: 4-[5-(4-nonylphenyl)-6-oxidanyl-6-oxidanylidene-hexyl]sulfanylbenzoic acid Openeye Name: 4-[6-hydroxy-5-(4-nonylphenyl)-6-oxo-hexyl]sulfanylbenzoic acid CAS Name: 4-[[6-hydroxy-5-(4-nonylphenyl)-6-oxohexyl]thio]benzoic acid IUPAC Name: 4-[6-hydroxy-5-(4-nonylphenyl)-6-oxohexyl]sulfanylbenzoic acid Traditional Name: 4-[[6-hydroxy-6-keto-5-(4-nonylphenyl)hexyl]thio]benzoic acid Formula: C28H38O4S MolecularWeight: 470.66392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCSC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCSC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C28H38O4S/c1-2-3-4-5-6-7-8-11-22-13-15-23(16-14-22)26(28(31)32)12-9-10-21-33-25-19-17-24(18-20-25)27(29)30/h13-20,26H,2-12,21H2,1H3,(H,29,30)(H,31,32)