4-(2-methylphenyl)sulfanylbutanoic acid

Systemtic Name: 4-(2-methylphenyl)sulfanylbutanoic acid Openeye Name: 4-(o-tolylsulfanyl)butanoic acid CAS Name: 4-[(2-methylphenyl)thio]butanoic acid IUPAC Name: 4-(2-methylphenyl)sulfanylbutanoic acid Traditional Name: 4-(o-tolylthio)butyric acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCCCC(=O)O

InChI

InChI=1S/C11H14O2S/c1-9-5-2-3-6-10(9)14-8-4-7-11(12)13/h2-3,5-6H,4,7-8H2,1H3,(H,12,13)