4-fluoranyl-5-methylsulfonyl-2-nitro-benzoic acid

Systemtic Name: 4-fluoranyl-5-methylsulfonyl-2-nitro-benzoic acid Openeye Name: 4-fluoro-5-methylsulfonyl-2-nitro-benzoic acid CAS Name: 4-fluoro-5-methylsulfonyl-2-nitrobenzoic acid IUPAC Name: 4-fluoro-5-methylsulfonyl-2-nitrobenzoic acid Traditional Name: 4-fluoro-5-mesyl-2-nitro-benzoic acid Formula: C8H6FNO6S MolecularWeight: 263.199743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C8H6FNO6S/c1-17(15,16)7-2-4(8(11)12)6(10(13)14)3-5(7)9/h2-3H,1H3,(H,11,12)