(E)-but-2-enedioate; 1-(fluoranylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: (E)-but-2-enedioate; 1-(fluoranylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: (E)-but-2-enedioate; 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: (E)-2-butenedioate; 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate IUPAC Name: (E)-but-2-enedioate; 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(fluoromethyl)-4H-pyridine-3,5-dicarboxylate fumarate Formula: C12H8FNO8-4 MolecularWeight: 313.192223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8FNO4.C4H4O4/c9-4-10-2-5(7(11)12)1-6(3-10)8(13)14;5-3(6)1-2-4(7)8/h2-3H,1,4H2,(H,11,12)(H,13,14);1-2H,(H,5,6)(H,7,8)/p-4/b;2-1+