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

Systemtic Name: 4-(4-methylphenyl)-2-(methylsulfinylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(methylsulfinylmethyl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 4-(4-methylphenyl)-2-(methylsulfinylmethyl)-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-2-(methylsulfinylmethyl)-4-oxobutanoic acid Traditional Name: 4-keto-2-(methylsulfinylmethyl)-4-(p-tolyl)butyric acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-9-3-5-10(6-4-9)12(14)7-11(13(15)16)8-18(2)17/h3-6,11H,7-8H2,1-2H3,(H,15,16)