iron(3+); 3-oxidanylquinoline-2-carboxylate

Systemtic Name: iron(3+); 3-oxidanylquinoline-2-carboxylate Openeye Name: ferric 3-hydroxyquinoline-2-carboxylate CAS Name: 3-hydroxy-2-quinolinecarboxylate; iron(3+) IUPAC Name: 3-hydroxyquinoline-2-carboxylate; iron(3+) Traditional Name: ferric 3-hydroxyquinaldate Formula: C30H18FeN3O9 MolecularWeight: 620.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.[Fe+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.C1=CC=C2C(=C1)C=C(C(=N2)C(=O)[O-])O.[Fe+3]

InChI

InChI=1S/3C10H7NO3.Fe/c3*12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14;/h3*1-5,12H,(H,13,14);/q;;;+3/p-3