ethanedioate; iron(4+); (2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-phenyl-azanide

Systemtic Name: ethanedioate; iron(4+); (2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-phenyl-azanide Openeye Name: iron(4+); oxalate; (2-oxo-1,3-benzoxazol-3-yl)methyl-phenyl-azanide CAS Name: iron(4+); oxalate; (2-oxo-1,3-benzoxazol-3-yl)methyl-phenylazanide IUPAC Name: iron(4+); oxalate; (2-oxo-1,3-benzoxazol-3-yl)methyl-phenylazanide Traditional Name: iron(4+); (2-keto-1,3-benzoxazol-3-yl)methyl-phenyl-azanide; oxalate Formula: C30H22FeN4O8 MolecularWeight: 622.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C(=O)(C(=O)[O-])[O-].[Fe+4]

Isomeric SMILES

C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C1=CC=C(C=C1)[N-]CN2C3=CC=CC=C3OC2=O.C(=O)(C(=O)[O-])[O-].[Fe+4]

InChI

InChI=1S/2C14H11N2O2.C2H2O4.Fe/c2*17-14-16(10-15-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14;3-1(4)2(5)6;/h2*1-9H,10H2;(H,3,4)(H,5,6);/q2*-1;;+4/p-2