magnesium; (E)-but-2-enedioate; 2-ethanoyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: magnesium; (E)-but-2-enedioate; 2-ethanoyl-3-oxidanyl-4-(trimethylazaniumyl)butanoate Openeye Name: magnesium; 2-acetyl-3-hydroxy-4-(trimethylammonio)butanoate; (E)-but-2-enedioate CAS Name: magnesium; 2-acetyl-3-hydroxy-4-(trimethylammonio)butanoate; (E)-2-butenedioate IUPAC Name: magnesium; 2-acetyl-3-hydroxy-4-(trimethylazaniumyl)butanoate; (E)-but-2-enedioate Traditional Name: magnesium 2-acetyl-3-hydroxy-4-(trimethylammonio)butyrate fumarate Formula: C13H19MgNO8 MolecularWeight: 341.59686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO4.C4H4O4.Mg/c1-6(11)8(9(13)14)7(12)5-10(2,3)4;5-3(6)1-2-4(7)8;/h7-8,12H,5H2,1-4H3;1-2H,(H,5,6)(H,7,8);/q;;+2/p-2/b;2-1+;