trimagnesium 2,6-bis(azanyl)hexanoic acid diphosphate

Systemtic Name: trimagnesium 2,6-bis(azanyl)hexanoic acid diphosphate Openeye Name: trimagnesium 2,6-diaminohexanoic acid diphosphate CAS Name: trimagnesium 2,6-diaminohexanoic acid diphosphate IUPAC Name: trimagnesium 2,6-diaminohexanoic acid diphosphate Traditional Name: trimagnesium 2,6-diaminohexanoic acid diphosphate Formula: C18H42Mg3N6O14P2 MolecularWeight: 701.420402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H14N2O2.3Mg.2H3O4P/c3*7-4-2-1-3-5(8)6(9)10;;;;2*1-5(2,3)4/h3*5H,1-4,7-8H2,(H,9,10);;;;2*(H3,1,2,3,4)/q;;;3*+2;;/p-6