2-cyano-3-methylsulfonyl-4-phenyl-benzoic acid

Systemtic Name: 2-cyano-3-methylsulfonyl-4-phenyl-benzoic acid Openeye Name: 2-cyano-3-methylsulfonyl-4-phenyl-benzoic acid CAS Name: 2-cyano-3-methylsulfonyl-4-phenylbenzoic acid IUPAC Name: 2-cyano-3-methylsulfonyl-4-phenylbenzoic acid Traditional Name: 2-cyano-3-mesyl-4-phenyl-benzoic acid Formula: C15H11NO4S MolecularWeight: 301.31714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1C#N)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1C#N)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H11NO4S/c1-21(19,20)14-11(10-5-3-2-4-6-10)7-8-12(15(17)18)13(14)9-16/h2-8H,1H3,(H,17,18)