2-(2,5-dimethylphenyl)sulfanylbutanoic acid

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanylbutanoic acid Openeye Name: 2-(2,5-dimethylphenyl)sulfanylbutanoic acid CAS Name: 2-[(2,5-dimethylphenyl)thio]butanoic acid IUPAC Name: 2-(2,5-dimethylphenyl)sulfanylbutanoic acid Traditional Name: 2-[(2,5-dimethylphenyl)thio]butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(C(=O)O)SC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C12H16O2S/c1-4-10(12(13)14)15-11-7-8(2)5-6-9(11)3/h5-7,10H,4H2,1-3H3,(H,13,14)