2-(4-methylphenyl)sulfonylbutanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonylbutanoic acid Openeye Name: 2-(p-tolylsulfonyl)butanoic acid CAS Name: 2-(4-methylphenyl)sulfonylbutanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonylbutanoic acid Traditional Name: 2-tosylbutyric acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-3-10(11(12)13)16(14,15)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)