2,2-dimethyl-4-(2-methylsulfanylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2,2-dimethyl-4-(2-methylsulfanylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2,2-dimethyl-4-(2-methylsulfanylphenyl)-4-oxo-butanoic acid CAS Name: 2,2-dimethyl-4-[2-(methylthio)phenyl]-4-oxobutanoic acid IUPAC Name: 2,2-dimethyl-4-(2-methylsulfanylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-2,2-dimethyl-4-[2-(methylthio)phenyl]butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=CC=CC=C1SC)C(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=CC=CC=C1SC)C(=O)O

InChI

InChI=1S/C13H16O3S/c1-13(2,12(15)16)8-10(14)9-6-4-5-7-11(9)17-3/h4-7H,8H2,1-3H3,(H,15,16)