4-(4-methylphenyl)-2-(methylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methylphenyl)-2-(methylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(methylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 4-(4-methylphenyl)-2-[(methylthio)methyl]-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-(methylsulfanylmethyl)-4-oxobutanoic acid Traditional Name: 4-keto-2-[(methylthio)methyl]-4-(p-tolyl)butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(CSC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(CSC)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-9-3-5-10(6-4-9)12(14)7-11(8-17-2)13(15)16/h3-6,11H,7-8H2,1-2H3,(H,15,16)