tetraazanium 2-(carboxymethyl)-2-phosphonato-pentanedioate

Systemtic Name: tetraazanium 2-(carboxymethyl)-2-phosphonato-pentanedioate Openeye Name: tetraammonium 2-(carboxymethyl)-2-phosphonato-pentanedioate CAS Name: tetraammonium 2-(carboxymethyl)-2-phosphonatopentanedioate IUPAC Name: tetraazanium 2-(carboxymethyl)-2-phosphonatopentanedioate Traditional Name: tetraammonium 2-(carboxymethyl)-2-phosphonato-glutarate Formula: C7H23N4O9P MolecularWeight: 338.252681

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CC(=O)O)(C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C(CC(CC(=O)O)(C(=O)[O-])P(=O)([O-])[O-])C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C7H11O9P.4H3N/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16);4*1H3