2,2-dimethyl-3-(3-methylphenyl)sulfanyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(3-methylphenyl)sulfanyl-propanoic acid Openeye Name: 2,2-dimethyl-3-(m-tolylsulfanyl)propanoic acid CAS Name: 2,2-dimethyl-3-[(3-methylphenyl)thio]propanoic acid IUPAC Name: 2,2-dimethyl-3-(3-methylphenyl)sulfanylpropanoic acid Traditional Name: 2,2-dimethyl-3-(m-tolylthio)propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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