trimagnesium; 2-oxidanylpropane-1,2,3-tricarboxylate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: trimagnesium; 2-oxidanylpropane-1,2,3-tricarboxylate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: trimagnesium 3-hydroxy-4-(trimethylammonio)butanoate dicitrate CAS Name: trimagnesium; 2-hydroxypropane-1,2,3-tricarboxylate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: trimagnesium; 2-hydroxypropane-1,2,3-tricarboxylate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: trimagnesium 3-hydroxy-4-(trimethylammonio)butyrate dicitrate Formula: C33H55Mg3N3O23 MolecularWeight: 934.7111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H15NO3.2C6H8O7.3Mg/c3*1-8(2,3)5-6(9)4-7(10)11;2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3*6,9H,4-5H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;;3*+2/p-6