pentasodium 4-phosphonato-4-(2-phosphonatoethanoylamino)butanoate

Systemtic Name: pentasodium 4-phosphonato-4-(2-phosphonatoethanoylamino)butanoate Openeye Name: pentasodium 4-phosphonato-4-[(2-phosphonatoacetyl)amino]butanoate CAS Name: pentasodium 4-[(1-oxo-2-phosphonatoethyl)amino]-4-phosphonatobutanoate IUPAC Name: pentasodium 4-phosphonato-4-[(2-phosphonatoacetyl)amino]butanoate Traditional Name: pentasodium 4-phosphonato-4-[(2-phosphonatoacetyl)amino]butyrate Formula: C6H8NNa5O9P2 MolecularWeight: 415.025392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO9P2.5Na/c8-4(3-17(11,12)13)7-5(18(14,15)16)1-2-6(9)10;;;;;/h5H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16);;;;;/q;5*+1/p-5