pentasodium 3-phosphonato-3-(2-phosphonatoethanoylamino)propanoate

Systemtic Name: pentasodium 3-phosphonato-3-(2-phosphonatoethanoylamino)propanoate Openeye Name: pentasodium 3-phosphonato-3-[(2-phosphonatoacetyl)amino]propanoate CAS Name: pentasodium 3-[(1-oxo-2-phosphonatoethyl)amino]-3-phosphonatopropanoate IUPAC Name: pentasodium 3-phosphonato-3-[(2-phosphonatoacetyl)amino]propanoate Traditional Name: pentasodium 3-phosphonato-3-[(2-phosphonatoacetyl)amino]propionate Formula: C5H6NNa5O9P2 MolecularWeight: 400.998812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11NO9P2.5Na/c7-3(2-16(10,11)12)6-4(1-5(8)9)17(13,14)15;;;;;/h4H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)(H2,13,14,15);;;;;/q;5*+1/p-5