octaazanium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine

Systemtic Name: octaazanium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine Openeye Name: octaammonium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine CAS Name: octaammonium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine IUPAC Name: octaazanium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine Traditional Name: octaammonium 2-[bis(phosphonatomethyl)amino]ethyl-bis(phosphonatomethyl)amine Formula: C6H44N10O12P4 MolecularWeight: 572.368404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H20N2O12P4.8H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3