3-(2-dodecylphenyl)-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-propanoic acid

Systemtic Name: 3-(2-dodecylphenyl)-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-propanoic acid Openeye Name: 3-(2-dodecylphenyl)-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-propanoic acid CAS Name: 3-(2-dodecylphenyl)-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 3-(2-dodecylphenyl)-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-3-(2-laurylphenyl)-2-methyl-propionic acid Formula: C25H40O4S MolecularWeight: 436.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1CC(C)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1CC(C)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C25H40O4S/c1-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)19-25(3,24(28)29)30-20(2)23(26)27/h14-15,17-18,20H,4-13,16,19H2,1-3H3,(H,26,27)(H,28,29)