ethanedioate; 1-(fluoranylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: ethanedioate; 1-(fluoranylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate; oxalate CAS Name: 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate; oxalate IUPAC Name: 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate; oxalate Traditional Name: 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate; oxalate Formula: C10H6FNO8-4 MolecularWeight: 287.154943

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN(C=C1C(=O)[O-])CF)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1C(=CN(C=C1C(=O)[O-])CF)C(=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C8H8FNO4.C2H2O4/c9-4-10-2-5(7(11)12)1-6(3-10)8(13)14;3-1(4)2(5)6/h2-3H,1,4H2,(H,11,12)(H,13,14);(H,3,4)(H,5,6)/p-4