3-methyl-3-(2-methylsulfanylphenyl)butanoic acid

Systemtic Name: 3-methyl-3-(2-methylsulfanylphenyl)butanoic acid Openeye Name: 3-methyl-3-(2-methylsulfanylphenyl)butanoic acid CAS Name: 3-methyl-3-[2-(methylthio)phenyl]butanoic acid IUPAC Name: 3-methyl-3-(2-methylsulfanylphenyl)butanoic acid Traditional Name: 3-methyl-3-[2-(methylthio)phenyl]butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-12(2,8-11(13)14)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3,(H,13,14)