4-cyano-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-cyano-3-methylsulfonyl-benzoic acid Openeye Name: 4-cyano-3-methylsulfonyl-benzoic acid CAS Name: 4-cyano-3-methylsulfonylbenzoic acid IUPAC Name: 4-cyano-3-methylsulfonylbenzoic acid Traditional Name: 4-cyano-3-mesyl-benzoic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C#N

InChI

InChI=1S/C9H7NO4S/c1-15(13,14)8-4-6(9(11)12)2-3-7(8)5-10/h2-4H,1H3,(H,11,12)