octasodium 1,1,2,2-tetraphosphonatoethane-1,2-diamine

Systemtic Name: octasodium 1,1,2,2-tetraphosphonatoethane-1,2-diamine Openeye Name: octasodium 1,1,2,2-tetraphosphonatoethane-1,2-diamine CAS Name: octasodium 1,1,2,2-tetraphosphonatoethane-1,2-diamine IUPAC Name: octasodium 1,1,2,2-tetraphosphonatoethane-1,2-diamine Traditional Name: octasodium (2-amino-1,1,2,2-tetraphosphonato-ethyl)amine Formula: C2H4N2Na8O12P4 MolecularWeight: 555.872564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C2H12N2O12P4.8Na/c3-1(17(5,6)7,18(8,9)10)2(4,19(11,12)13)20(14,15)16;;;;;;;;/h3-4H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);;;;;;;;/q;8*+1/p-8