nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid

Systemtic Name: nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid Openeye Name: nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid CAS Name: nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid IUPAC Name: nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid Traditional Name: nonasodium [bis[2-[bis(phosphonatomethyl)amino]ethyl]amino]methylphosphonic acid Formula: C9H20N3Na9O15P5+ MolecularWeight: 772.042935

Click to see the large picture

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

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

InChI

InChI=1S/C9H28N3O15P5.9Na/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);;;;;;;;;/q;9*+1/p-8