trimagnesium 2-oxidanylpropane-1,2,3-tricarboxylate pentahydrate

Systemtic Name: trimagnesium 2-oxidanylpropane-1,2,3-tricarboxylate pentahydrate Openeye Name: trimagnesium dicitrate pentahydrate CAS Name: trimagnesium 2-hydroxypropane-1,2,3-tricarboxylate pentahydrate IUPAC Name: trimagnesium 2-hydroxypropane-1,2,3-tricarboxylate pentahydrate Traditional Name: trimagnesium dicitrate pentahydrate Formula: C12H20Mg3O19 MolecularWeight: 541.1908

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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.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]

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.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]

InChI

InChI=1S/2C6H8O7.3Mg.5H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;5*1H2/q;;3*+2;;;;;/p-6