magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate; tetrachloride; ethanoate; heptahydrate

Systemtic Name: magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate; tetrachloride; ethanoate; heptahydrate Openeye Name: magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; acetate; tetrachloride; heptahydrate CAS Name: magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; acetate; tetrachloride; heptahydrate IUPAC Name: magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; acetate; tetrachloride; heptahydrate Traditional Name: magnesium; dipotassium; pentasodium; dihydrogen phosphate; hydrogen phosphate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate; acetate; tetrachloride; heptahydrate Formula: C8H31Cl4K2MgNa5O24P2 MolecularWeight: 932.527312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.O.O.O.O.O.OP(=O)(O)[O-].OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Mg+2].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+]

Isomeric SMILES

CC(=O)[O-].C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.O.O.O.O.O.O.OP(=O)(O)[O-].OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Mg+2].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+]

InChI

InChI=1S/C6H12O7.C2H4O2.4ClH.2K.Mg.5Na.2H3O4P.7H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-2(3)4;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;/h2-5,7-11H,1H2,(H,12,13);1H3,(H,3,4);4*1H;;;;;;;;;2*(H3,1,2,3,4);7*1H2/q;;;;;;2*+1;+2;5*+1;;;;;;;;;/p-9/t2-,3-,4+,5-;;;;;;;;;;;;;;;;;;;;;;/m1....................../s1