18-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyloctadecanoic acid

Systemtic Name: 18-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanyloctadecanoic acid Openeye Name: 18-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanyloctadecanoic acid CAS Name: 18-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]octadecanoic acid IUPAC Name: 18-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanyloctadecanoic acid Traditional Name: 18-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]stearic acid Formula: C28H46O4S2 MolecularWeight: 510.79244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C28H46O4S2/c29-27(30)21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17-23-33-25-19-15-16-20-26(25)34-24-18-22-28(31)32/h15-16,19-20H,1-14,17-18,21-24H2,(H,29,30)(H,31,32)