2-(3,4-dimethylphenyl)sulfonylbutanoic acid

Systemtic Name: 2-(3,4-dimethylphenyl)sulfonylbutanoic acid Openeye Name: 2-(3,4-dimethylphenyl)sulfonylbutanoic acid CAS Name: 2-(3,4-dimethylphenyl)sulfonylbutanoic acid IUPAC Name: 2-(3,4-dimethylphenyl)sulfonylbutanoic acid Traditional Name: 2-(3,4-dimethylphenyl)sulfonylbutyric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-4-11(12(13)14)17(15,16)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3,(H,13,14)