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

Systemtic Name: calcium; iron(2+); 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: calcium ferrous citrate CAS Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) IUPAC Name: calcium; 2-hydroxypropane-1,2,3-tricarboxylate; iron(2+) Traditional Name: calcium ferrous citrate Formula: C6H5CaFeO7+ MolecularWeight: 285.0227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Ca.Fe/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);;/q;2*+2/p-3