2-(cyanomethoxy)-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-(cyanomethoxy)-4-methylsulfonyl-benzoic acid Openeye Name: 2-(cyanomethoxy)-4-methylsulfonyl-benzoic acid CAS Name: 2-(cyanomethoxy)-4-methylsulfonylbenzoic acid IUPAC Name: 2-(cyanomethoxy)-4-methylsulfonylbenzoic acid Traditional Name: 2-(cyanomethoxy)-4-mesyl-benzoic acid Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5S/c1-17(14,15)7-2-3-8(10(12)13)9(6-7)16-5-4-11/h2-3,6H,5H2,1H3,(H,12,13)