3-(4-methylsulfonylphenyl)butanoic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)butanoic acid Openeye Name: 3-(4-methylsulfonylphenyl)butanoic acid CAS Name: 3-(4-methylsulfonylphenyl)butanoic acid IUPAC Name: 3-(4-methylsulfonylphenyl)butanoic acid Traditional Name: 3-(4-mesylphenyl)butyric acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-8(7-11(12)13)9-3-5-10(6-4-9)16(2,14)15/h3-6,8H,7H2,1-2H3,(H,12,13)