cyanomethyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: cyanomethyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: cyanomethyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid cyanomethyl ester Formula: C10H8ClNO4S MolecularWeight: 273.69282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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