tricalcium magnesium 2,3,4,5,6-pentakis(oxidanyl)hexanoate phosphate

Systemtic Name: tricalcium magnesium 2,3,4,5,6-pentakis(oxidanyl)hexanoate phosphate Openeye Name: tricalcium magnesium 2,3,4,5,6-pentahydroxyhexanoate phosphate CAS Name: tricalcium magnesium 2,3,4,5,6-pentahydroxyhexanoate phosphate IUPAC Name: tricalcium magnesium 2,3,4,5,6-pentahydroxyhexanoate phosphate Traditional Name: tricalcium magnesium 2,3,4,5,6-pentahydroxyhexanoate phosphate Formula: C6H11Ca3MgO11P+4 MolecularWeight: 434.657701

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[O-]P(=O)([O-])[O-].[Mg+2].[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[O-]P(=O)([O-])[O-].[Mg+2].[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C6H12O7.3Ca.Mg.H3O4P/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;1-5(2,3)4/h2-5,7-11H,1H2,(H,12,13);;;;;(H3,1,2,3,4)/q;4*+2;/p-4