pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid

Systemtic Name: pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid Openeye Name: pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid CAS Name: pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid IUPAC Name: pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid Traditional Name: pentasodium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid Formula: C6H20N2Na5O12P4+5 MolecularWeight: 551.073094

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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+]

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+]

InChI

InChI=1S/C6H20N2O12P4.5Na/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;5*+1