magnesium; (E)-but-2-enedioic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium

Systemtic Name: magnesium; (E)-but-2-enedioic acid; trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-propanoyloxy-butyl]azanium Openeye Name: magnesium; fumaric acid; [(2R)-4-hydroxy-4-oxo-2-propanoyloxy-butyl]-trimethyl-ammonium CAS Name: magnesium; (E)-2-butenedioic acid; [(2R)-4-hydroxy-4-oxo-2-(1-oxopropoxy)butyl]-trimethylammonium IUPAC Name: magnesium; (E)-but-2-enedioic acid; [(2R)-4-hydroxy-4-oxo-2-propanoyloxybutyl]-trimethylazanium Traditional Name: magnesium; fumaric acid; [(2R)-4-hydroxy-4-keto-2-propionyloxy-butyl]-trimethyl-ammonium Formula: C28H48MgN2O16+4 MolecularWeight: 692.98952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)O.CCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.[Mg+2]

InChI

InChI=1S/2C10H19NO4.2C4H4O4.Mg/c2*1-5-10(14)15-8(6-9(12)13)7-11(2,3)4;2*5-3(6)1-2-4(7)8;/h2*8H,5-7H2,1-4H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p+2/b;;2*2-1+;/t2*8-;;;/m11.../s1