benzene-1,2,4,5-tetracarboxylate; iron(3+)

Systemtic Name: benzene-1,2,4,5-tetracarboxylate; iron(3+) Openeye Name: tetraferric benzene-1,2,4,5-tetracarboxylate CAS Name: benzene-1,2,4,5-tetracarboxylate; iron(3+) IUPAC Name: benzene-1,2,4,5-tetracarboxylate; iron(3+) Traditional Name: tetraferric benzene-1,2,4,5-tetracarboxylate Formula: C30H6Fe4O24 MolecularWeight: 973.73424

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].C1=C(C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/3C10H6O8.4Fe/c3*11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h3*1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;;;4*+3/p-12