zinc; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioic acid; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: zinc; (2S,3R,4S,5R)-2,3,4,5-tetrakis(oxidanyl)hexanedioic acid; trimethyl-[(2R)-2-(3-methylbutanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: zinc; [(2R)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid CAS Name: zinc; [(2R)-4-hydroxy-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid IUPAC Name: zinc; [(2R)-4-hydroxy-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid Traditional Name: zinc; [(2R)-4-hydroxy-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium; (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyadipic acid Formula: C36H68N2O24Zn+4 MolecularWeight: 978.33312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H23NO4.2C6H10O8.Zn/c2*1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;2*7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h2*9-10H,6-8H2,1-5H3;2*1-4,7-10H,(H,11,12)(H,13,14);/q;;;;+2/p+2/t2*10-;2*1-,2+,3+,4-;/m11.../s1