4-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylbutanoic acid Openeye Name: 4-[1-(2-dodecylphenyl)-2-hydroxy-2-oxo-ethyl]sulfanylbutanoic acid CAS Name: 4-[[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]thio]butanoic acid IUPAC Name: 4-[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]sulfanylbutanoic acid Traditional Name: 4-[[2-hydroxy-2-keto-1-(2-laurylphenyl)ethyl]thio]butyric acid Formula: C24H38O4S MolecularWeight: 422.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4S/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-12-13-17-21(20)23(24(27)28)29-19-14-18-22(25)26/h12-13,16-17,23H,2-11,14-15,18-19H2,1H3,(H,25,26)(H,27,28)