triazanium; iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: triazanium; iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: triammonium triferrous tetracitrate CAS Name: triammonium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) IUPAC Name: triazanium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) Traditional Name: triammonium triferrous tetracitrate Formula: C24H32Fe3N3O28-3 MolecularWeight: 978.04918

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[NH4+].[NH4+].[NH4+].[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/4C6H8O7.3Fe.3H3N/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1H3/q;;;;3*+2;;;/p-9