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

Systemtic Name: iron(3+); manganese(2+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: ferric trimanganous tricitrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); manganese(2+) IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); manganese(2+) Traditional Name: ferric trimanganous tricitrate Formula: C18H15FeMn3O21 MolecularWeight: 787.958247

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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.[Mn+2].[Mn+2].[Mn+2].[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.[Mn+2].[Mn+2].[Mn+2].[Fe+3]

InChI

InChI=1S/3C6H8O7.Fe.3Mn/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;;+3;3*+2/p-9