decaazanium N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine

Systemtic Name: decaazanium N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine Openeye Name: decaammonium N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine CAS Name: decaammonium N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine IUPAC Name: decaazanium N-[2-[bis(phosphonatomethyl)amino]ethyl]-N,N',N'-tris(phosphonatomethyl)ethane-1,2-diamine Traditional Name: decaammonium bis[2-[bis(phosphonatomethyl)amino]ethyl]-(phosphonatomethyl)amine Formula: C9H58N13O15P5 MolecularWeight: 743.503725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H28N3O15P5.10H3N/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);10*1H3