3-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-(4-methylsulfanylphenyl)-4-oxo-butanoic acid CAS Name: 3-methyl-4-[4-(methylthio)phenyl]-4-oxobutanoic acid IUPAC Name: 3-methyl-4-(4-methylsulfanylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-[4-(methylthio)phenyl]butyric acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)SC

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)SC

InChI

InChI=1S/C12H14O3S/c1-8(7-11(13)14)12(15)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)