2-cyano-4-methanoyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-cyano-4-methanoyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-cyano-4-formyl-5-methylsulfonyl-benzoic acid CAS Name: 2-cyano-4-formyl-5-methylsulfonylbenzoic acid IUPAC Name: 2-cyano-4-formyl-5-methylsulfonylbenzoic acid Traditional Name: 2-cyano-4-formyl-5-mesyl-benzoic acid Formula: C10H7NO5S MolecularWeight: 253.23128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7NO5S/c1-17(15,16)9-3-8(10(13)14)6(4-11)2-7(9)5-12/h2-3,5H,1H3,(H,13,14)