tetrasodium 2-phosphonato-N-(2-phosphonatopropan-2-yl)ethanamide

Systemtic Name: tetrasodium 2-phosphonato-N-(2-phosphonatopropan-2-yl)ethanamide Openeye Name: tetrasodium N-(1-methyl-1-phosphonato-ethyl)-2-phosphonato-acetamide CAS Name: tetrasodium 2-phosphonato-N-(2-phosphonatopropan-2-yl)acetamide IUPAC Name: tetrasodium 2-phosphonato-N-(2-phosphonatopropan-2-yl)acetamide Traditional Name: tetrasodium N-(1-methyl-1-phosphonato-ethyl)-2-phosphonato-acetamide Formula: C5H9NNa4O7P2 MolecularWeight: 349.034062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H13NO7P2.4Na/c1-5(2,15(11,12)13)6-4(7)3-14(8,9)10;;;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4