iron(3+); 8-oxidanylquinoline-2-carboxylate

Systemtic Name: iron(3+); 8-oxidanylquinoline-2-carboxylate Openeye Name: ferric 8-hydroxyquinoline-2-carboxylate CAS Name: 8-hydroxy-2-quinolinecarboxylate; iron(3+) IUPAC Name: 8-hydroxyquinoline-2-carboxylate; iron(3+) Traditional Name: ferric 8-hydroxyquinaldate Formula: C30H18FeN3O9 MolecularWeight: 620.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].[Fe+3]

Isomeric SMILES

C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].C1=CC2=C(C(=C1)O)N=C(C=C2)C(=O)[O-].[Fe+3]

InChI

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