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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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