trisodium (2-imidazol-1-yl-1-oxidanyl-1-phosphonato-ethyl)-oxidanyl-phosphinate hydrate

Systemtic Name: trisodium (2-imidazol-1-yl-1-oxidanyl-1-phosphonato-ethyl)-oxidanyl-phosphinate hydrate Openeye Name: trisodium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphinate hydrate CAS Name: trisodium hydroxy-[1-hydroxy-2-(1-imidazolyl)-1-phosphonatoethyl]phosphinate hydrate IUPAC Name: trisodium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphinate hydrate Traditional Name: trisodium hydroxy-(1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphinate hydrate Formula: C5H9N2Na3O8P2 MolecularWeight: 356.050392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CN(C=N1)CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H10N2O7P2.3Na.H2O/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7;;;;/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14);;;;1H2/q;3*+1;/p-3