3-(cyanomethylsulfonyl)benzoic acid

Systemtic Name: 3-(cyanomethylsulfonyl)benzoic acid Openeye Name: 3-(cyanomethylsulfonyl)benzoic acid CAS Name: 3-(cyanomethylsulfonyl)benzoic acid IUPAC Name: 3-(cyanomethylsulfonyl)benzoic acid Traditional Name: 3-(cyanomethylsulfonyl)benzoic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO4S/c10-4-5-15(13,14)8-3-1-2-7(6-8)9(11)12/h1-3,6H,5H2,(H,11,12)