octaazanium [2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate

Systemtic Name: octaazanium [2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate Openeye Name: octaammonium [2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate CAS Name: octaammonium [2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate IUPAC Name: octaazanium [2-[bis(phosphonatooxymethyl)amino]ethyl-(phosphonatooxymethyl)amino]methyl phosphate Traditional Name: octaammonium [2-[bis(phosphatomethyl)amino]ethyl-(phosphatomethyl)amino]methyl phosphate Formula: C6H44N10O16P4 MolecularWeight: 636.366004

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(COP(=O)([O-])[O-])COP(=O)([O-])[O-])N(COP(=O)([O-])[O-])COP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C(CN(COP(=O)([O-])[O-])COP(=O)([O-])[O-])N(COP(=O)([O-])[O-])COP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C6H20N2O16P4.8H3N/c9-25(10,11)21-3-7(4-22-26(12,13)14)1-2-8(5-23-27(15,16)17)6-24-28(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3