4-(2,5-dimethylphenyl)sulfanylbutanoic acid

Systemtic Name: 4-(2,5-dimethylphenyl)sulfanylbutanoic acid Openeye Name: 4-(2,5-dimethylphenyl)sulfanylbutanoic acid CAS Name: 4-[(2,5-dimethylphenyl)thio]butanoic acid IUPAC Name: 4-(2,5-dimethylphenyl)sulfanylbutanoic acid Traditional Name: 4-[(2,5-dimethylphenyl)thio]butyric acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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