tetrasodium [6-[phosphonatooxymethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate

Systemtic Name: tetrasodium [6-[phosphonatooxymethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate Openeye Name: tetrasodium [6-[phosphonatooxymethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate CAS Name: tetrasodium [6-[phosphonatooxymethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate IUPAC Name: tetrasodium [6-[phosphonatooxymethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate Traditional Name: tetrasodium [6-[phosphatomethyl(phosphonooxymethyl)amino]hexyl-(phosphonooxymethyl)amino]methyl phosphate Formula: C10H24N2Na4O16P4 MolecularWeight: 644.155484

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN(COP(=O)(O)O)COP(=O)([O-])[O-])CCN(COP(=O)(O)O)COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CCCN(COP(=O)(O)O)COP(=O)([O-])[O-])CCN(COP(=O)(O)O)COP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H28N2O16P4.4Na/c13-29(14,15)25-7-11(8-26-30(16,17)18)5-3-1-2-4-6-12(9-27-31(19,20)21)10-28-32(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4