4-[(2-dodecylphenyl)-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoic acid

Systemtic Name: 4-[(2-dodecylphenyl)-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoic acid Openeye Name: 4-[(2-dodecylphenyl)-(4-hydroxy-4-oxo-butyl)sulfanyl-methyl]sulfanylbutanoic acid CAS Name: 4-[[(2-dodecylphenyl)-[(4-hydroxy-4-oxobutyl)thio]methyl]thio]butanoic acid IUPAC Name: 4-[(2-dodecylphenyl)-(4-hydroxy-4-oxobutyl)sulfanylmethyl]sulfanylbutanoic acid Traditional Name: 4-[[[(4-hydroxy-4-keto-butyl)thio]-(2-laurylphenyl)methyl]thio]butyric acid Formula: C27H44O4S2 MolecularWeight: 496.76586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(SCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(SCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C27H44O4S2/c1-2-3-4-5-6-7-8-9-10-11-16-23-17-12-13-18-24(23)27(32-21-14-19-25(28)29)33-22-15-20-26(30)31/h12-13,17-18,27H,2-11,14-16,19-22H2,1H3,(H,28,29)(H,30,31)