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

Systemtic Name: octasodium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine Openeye Name: octasodium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine CAS Name: octasodium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine IUPAC Name: octasodium N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine Traditional Name: octasodium 2-[bis(phosphonatomethyl)amino]ethyl-bis(phosphonatomethyl)amine Formula: C6H12N2Na8O12P4 MolecularWeight: 611.978884

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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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C6H20N2O12P4.8Na/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);;;;;;;;/q;8*+1/p-8