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

Systemtic Name: 4-(4-methylphenyl)-4-oxidanylidene-2-(sulfanylmethyl)butanoic acid Openeye Name: 4-oxo-4-(p-tolyl)-2-(sulfanylmethyl)butanoic acid CAS Name: 2-(mercaptomethyl)-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-methylphenyl)-4-oxo-2-(sulfanylmethyl)butanoic acid Traditional Name: 4-keto-2-(mercaptomethyl)-4-(p-tolyl)butyric acid Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3S/c1-8-2-4-9(5-3-8)11(13)6-10(7-16)12(14)15/h2-5,10,16H,6-7H2,1H3,(H,14,15)