2-chloranyl-3-(cyanomethyl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-(cyanomethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-(cyanomethyl)-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-(cyanomethyl)-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-(cyanomethyl)-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-(cyanomethyl)-4-mesyl-benzoic acid Formula: C10H8ClNO4S MolecularWeight: 273.69282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClNO4S/c1-17(15,16)8-3-2-7(10(13)14)9(11)6(8)4-5-12/h2-3H,4H2,1H3,(H,13,14)