magnesium; (E)-but-2-enedioate; 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]pentanoate

Systemtic Name: magnesium; (E)-but-2-enedioate; 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]pentanoate Openeye Name: magnesium; (E)-but-2-enedioate; 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-pentanoate CAS Name: magnesium; (E)-2-butenedioate; 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxopentanoate IUPAC Name: magnesium; (E)-but-2-enedioate; 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxopentanoate Traditional Name: magnesium 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-valerate fumarate Formula: C14H21MgNO8 MolecularWeight: 355.62344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C10H19NO4.C4H4O4.Mg/c1-5-7(12)9(10(14)15)8(13)6-11(2,3)4;5-3(6)1-2-4(7)8;/h8-9,13H,5-6H2,1-4H3;1-2H,(H,5,6)(H,7,8);/q;;+2/p-2/b;2-1+;