2-methyl-3-(4-methylphenyl)sulfanyl-propanoic acid

Systemtic Name: 2-methyl-3-(4-methylphenyl)sulfanyl-propanoic acid Openeye Name: 2-methyl-3-(p-tolylsulfanyl)propanoic acid CAS Name: 2-methyl-3-[(4-methylphenyl)thio]propanoic acid IUPAC Name: 2-methyl-3-(4-methylphenyl)sulfanylpropanoic acid Traditional Name: 2-methyl-3-(p-tolylthio)propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8-3-5-10(6-4-8)14-7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)