hexaazanium disodium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine

Systemtic Name: hexaazanium disodium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine Openeye Name: hexaammonium disodium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine CAS Name: hexaammonium disodium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine IUPAC Name: hexaazanium disodium N,N,N',N'-tetrakis(phosphonatomethyl)hexane-1,6-diamine Traditional Name: hexaammonium disodium 6-[bis(phosphonatomethyl)amino]hexyl-bis(phosphonatomethyl)amine Formula: C10H44N8Na2O12P4 MolecularWeight: 638.377344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Na+].[Na+]

Isomeric SMILES

C(CCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[Na+].[Na+]

InChI

InChI=1S/C10H28N2O12P4.6H3N.2Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);6*1H3;;/q;;;;;;;2*+1/p-2