3-methyl-3-(4-methylphenyl)sulfanyl-butanoic acid

Systemtic Name: 3-methyl-3-(4-methylphenyl)sulfanyl-butanoic acid Openeye Name: 3-methyl-3-(p-tolylsulfanyl)butanoic acid CAS Name: 3-methyl-3-[(4-methylphenyl)thio]butanoic acid IUPAC Name: 3-methyl-3-(4-methylphenyl)sulfanylbutanoic acid Traditional Name: 3-methyl-3-(p-tolylthio)butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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