3,3-bis(azanyl)propane-1,1,1,2-tetracarboxylate; iron(3+)

Systemtic Name: 3,3-bis(azanyl)propane-1,1,1,2-tetracarboxylate; iron(3+) Openeye Name: tetraferric 3,3-diaminopropane-1,1,1,2-tetracarboxylate CAS Name: 3,3-diaminopropane-1,1,1,2-tetracarboxylate; iron(3+) IUPAC Name: 3,3-diaminopropane-1,1,1,2-tetracarboxylate; iron(3+) Traditional Name: tetraferric 3,3-diaminopropane-1,1,1,2-tetracarboxylate Formula: C21H18Fe4N6O24 MolecularWeight: 961.77342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H10N2O8.4Fe/c3*8-2(9)1(3(10)11)7(4(12)13,5(14)15)6(16)17;;;;/h3*1-2H,8-9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;;;4*+3/p-12