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

Systemtic Name: iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylate; tetrahydrate Openeye Name: ferric citrate tetrahydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); tetrahydrate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+); tetrahydrate Traditional Name: ferric citrate tetrahydrate Formula: C6H13FeO11 MolecularWeight: 317.00582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Fe.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;4*1H2/q;+3;;;;/p-3