iron(3+); pyridine-2,3-dicarboxylate

Systemtic Name: iron(3+); pyridine-2,3-dicarboxylate Openeye Name: diferric pyridine-2,3-dicarboxylate CAS Name: iron(3+); pyridine-2,3-dicarboxylate IUPAC Name: iron(3+); pyridine-2,3-dicarboxylate Traditional Name: diferric quinolinate Formula: C21H9Fe2N3O12 MolecularWeight: 606.99906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3]

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].C1=CC(=C(N=C1)C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3]

InChI

InChI=1S/3C7H5NO4.2Fe/c3*9-6(10)4-2-1-3-8-5(4)7(11)12;;/h3*1-3H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6