4-cyano-2-(fluoranylmethyl)-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-cyano-2-(fluoranylmethyl)-5-methylsulfonyl-benzoic acid Openeye Name: 4-cyano-2-(fluoromethyl)-5-methylsulfonyl-benzoic acid CAS Name: 4-cyano-2-(fluoromethyl)-5-methylsulfonylbenzoic acid IUPAC Name: 4-cyano-2-(fluoromethyl)-5-methylsulfonylbenzoic acid Traditional Name: 4-cyano-2-(fluoromethyl)-5-mesyl-benzoic acid Formula: C10H8FNO4S MolecularWeight: 257.238223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1C#N)CF)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1C#N)CF)C(=O)O

InChI

InChI=1S/C10H8FNO4S/c1-17(15,16)9-3-8(10(13)14)6(4-11)2-7(9)5-12/h2-3H,4H2,1H3,(H,13,14)