magnesium; 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate; 3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; 2-(1,2-dihydroxy-2-oxo-ethyl)-2-hydroxy-butanedioate; 3-hydroxy-4-(trimethylammonio)butanoate CAS Name: magnesium; 2-(1,2-dihydroxy-2-oxoethyl)-2-hydroxybutanedioate; 3-hydroxy-4-(trimethylammonio)butanoate IUPAC Name: magnesium; 2-(1,2-dihydroxy-2-oxoethyl)-2-hydroxybutanedioate; 3-hydroxy-4-(trimethylazaniumyl)butanoate Traditional Name: magnesium; 2-(1,2-dihydroxy-2-keto-ethyl)-2-hydroxy-succinate; 3-hydroxy-4-(trimethylammonio)butyrate Formula: C13H21MgNO11 MolecularWeight: 391.61094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO3.C6H8O8.Mg/c1-8(2,3)5-6(9)4-7(10)11;7-2(8)1-6(14,5(12)13)3(9)4(10)11;/h6,9H,4-5H2,1-3H3;3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;;+2/p-2