3-cyano-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-cyano-5-methylsulfonyl-benzoic acid Openeye Name: 3-cyano-5-methylsulfonyl-benzoic acid CAS Name: 3-cyano-5-methylsulfonylbenzoic acid IUPAC Name: 3-cyano-5-methylsulfonylbenzoic acid Traditional Name: 3-cyano-5-mesyl-benzoic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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