trimagnesium; 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]pentanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: trimagnesium; 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]pentanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: trimagnesium 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-pentanoate dicitrate CAS Name: trimagnesium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxopentanoate IUPAC Name: trimagnesium; 2-hydroxypropane-1,2,3-tricarboxylate; 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxopentanoate Traditional Name: trimagnesium 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-valerate dicitrate Formula: C42H67Mg3N3O26 MolecularWeight: 1102.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-].CCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-].CCC(=O)C(C(C[N+](C)(C)C)O)C(=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

CCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-].CCC(=O)C(C(C[N+](C)(C)C)O)C(=O)[O-].CCC(=O)C(C(C[N+](C)(C)C)O)C(=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/3C10H19NO4.2C6H8O7.3Mg/c3*1-5-7(12)9(10(14)15)8(13)6-11(2,3)4;2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3*8-9,13H,5-6H2,1-4H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;;3*+2/p-6