3-(4-methylsulfonylphenyl)propanoic acid

Systemtic Name: 3-(4-methylsulfonylphenyl)propanoic acid Openeye Name: 3-(4-methylsulfonylphenyl)propanoic acid CAS Name: 3-(4-methylsulfonylphenyl)propanoic acid IUPAC Name: 3-(4-methylsulfonylphenyl)propanoic acid Traditional Name: 3-(4-mesylphenyl)propionic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)