tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonato-ethanamide

Systemtic Name: tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonato-ethanamide Openeye Name: tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonato-acetamide CAS Name: tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonatoacetamide IUPAC Name: tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonatoacetamide Traditional Name: tetrasodium N-[phenyl(phosphonato)methyl]-2-phosphonato-acetamide Formula: C9H9NNa4O7P2 MolecularWeight: 397.076862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(=O)CP(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(NC(=O)CP(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C9H13NO7P2.4Na/c11-8(6-18(12,13)14)10-9(19(15,16)17)7-4-2-1-3-5-7;;;;/h1-5,9H,6H2,(H,10,11)(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4