magnesium; (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate; 2,3,4,5-tetrakis(oxidanyl)hexanedioate

Systemtic Name: magnesium; (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate; 2,3,4,5-tetrakis(oxidanyl)hexanedioate Openeye Name: magnesium; (3R)-3-(3-methylbutanoyloxy)-4-(trimethylammonio)butanoate; 2,3,4,5-tetrahydroxyhexanedioate CAS Name: magnesium; (3R)-3-(3-methyl-1-oxobutoxy)-4-(trimethylammonio)butanoate; 2,3,4,5-tetrahydroxyhexanedioate IUPAC Name: magnesium; (3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate; 2,3,4,5-tetrahydroxyhexanedioate Traditional Name: magnesium; (3R)-3-isovaleryloxy-4-(trimethylammonio)butyrate; 2,3,4,5-tetrahydroxyadipate Formula: C18H31MgNO12 MolecularWeight: 477.74324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23NO4.C6H10O8.Mg/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h9-10H,6-8H2,1-5H3;1-4,7-10H,(H,11,12)(H,13,14);/q;;+2/p-2/t10-;;/m1../s1