3-(cyanomethylsulfonyl)-4-methoxy-benzoic acid

Systemtic Name: 3-(cyanomethylsulfonyl)-4-methoxy-benzoic acid Openeye Name: 3-(cyanomethylsulfonyl)-4-methoxy-benzoic acid CAS Name: 3-(cyanomethylsulfonyl)-4-methoxybenzoic acid IUPAC Name: 3-(cyanomethylsulfonyl)-4-methoxybenzoic acid Traditional Name: 3-(cyanomethylsulfonyl)-4-methoxy-benzoic acid Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC#N

InChI

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