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

Systemtic Name: magnesium 2-oxidanylpropane-1,2,3-tricarboxylate sulfate Openeye Name: magnesium citrate sulfate CAS Name: magnesium 2-hydroxypropane-1,2,3-tricarboxylate sulfate IUPAC Name: magnesium 2-hydroxypropane-1,2,3-tricarboxylate sulfate Traditional Name: magnesium citrate sulfate Formula: C6H5MgO11S-3 MolecularWeight: 309.4673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.Mg.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+2;/p-5