pentasodium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine

Systemtic Name: pentasodium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine Openeye Name: pentasodium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine CAS Name: pentasodium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine IUPAC Name: pentasodium 1-phosphonato-N,N-bis(phosphonatomethyl)methanamine Traditional Name: pentasodium tris(phosphonatomethyl)amine Formula: C3H6NNa5O9P3- MolecularWeight: 407.951173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H12NO9P3.5Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-6