magnesium 2-oxidanylpropane-1,2,3-tricarboxylate tetradecahydrate

Systemtic Name: magnesium 2-oxidanylpropane-1,2,3-tricarboxylate tetradecahydrate Openeye Name: magnesium citrate tetradecahydrate CAS Name: magnesium 2-hydroxypropane-1,2,3-tricarboxylate tetradecahydrate IUPAC Name: magnesium 2-hydroxypropane-1,2,3-tricarboxylate tetradecahydrate Traditional Name: magnesium citrate tetradecahydrate Formula: C6H33MgO21- MolecularWeight: 465.61862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Mg.14H2O/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);;14*1H2/q;+2;;;;;;;;;;;;;;/p-3