3-(2,4-dimethylphenyl)sulfanylbutanoic acid

Systemtic Name: 3-(2,4-dimethylphenyl)sulfanylbutanoic acid Openeye Name: 3-(2,4-dimethylphenyl)sulfanylbutanoic acid CAS Name: 3-[(2,4-dimethylphenyl)thio]butanoic acid IUPAC Name: 3-(2,4-dimethylphenyl)sulfanylbutanoic acid Traditional Name: 3-[(2,4-dimethylphenyl)thio]butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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