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

Systemtic Name: tripotassium; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: triferric tripotassium tetracitrate CAS Name: tripotassium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+) IUPAC Name: tripotassium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+) Traditional Name: triferric tripotassium tetracitrate Formula: C24H20Fe3K3O28 MolecularWeight: 1041.2287

Click to see the large picture

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.[K+].[K+].[K+].[Fe+3].[Fe+3].[Fe+3]

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.[K+].[K+].[K+].[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/4C6H8O7.3Fe.3K/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);;;;;;/q;;;;3*+3;3*+1/p-12