iron(3+); 2-(2-oxidanidyl-2-oxidanylidene-ethyl)benzoate

Systemtic Name: iron(3+); 2-(2-oxidanidyl-2-oxidanylidene-ethyl)benzoate Openeye Name: diferric 2-(2-oxido-2-oxo-ethyl)benzoate CAS Name: iron(3+); 2-(2-oxido-2-oxoethyl)benzoate IUPAC Name: iron(3+); 2-(2-oxido-2-oxoethyl)benzoate Traditional Name: diferric 2-(2-keto-2-oxido-ethyl)benzoate Formula: C27H18Fe2O12 MolecularWeight: 646.11462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H8O4.2Fe/c3*10-8(11)5-6-3-1-2-4-7(6)9(12)13;;/h3*1-4H,5H2,(H,10,11)(H,12,13);;/q;;;2*+3/p-6