octaazanium [3-phosphonatooxy-2,2-bis(phosphonatooxymethyl)propyl] phosphate

Systemtic Name: octaazanium [3-phosphonatooxy-2,2-bis(phosphonatooxymethyl)propyl] phosphate Openeye Name: octaammonium [3-phosphonatooxy-2,2-bis(phosphonatooxymethyl)propyl] phosphate CAS Name: octaammonium [3-phosphonatooxy-2,2-bis(phosphonatooxymethyl)propyl] phosphate IUPAC Name: octaazanium [3-phosphonatooxy-2,2-bis(phosphonatooxymethyl)propyl] phosphate Traditional Name: octaammonium [3-phosphato-2,2-bis(phosphatomethyl)propyl] phosphate Formula: C5H40N8O16P4 MolecularWeight: 592.310144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H16O16P4.8H3N/c6-22(7,8)18-1-5(2-19-23(9,10)11,3-20-24(12,13)14)4-21-25(15,16)17;;;;;;;;/h1-4H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17);8*1H3