disodium (2-imidazol-1-yl-1-oxidanyl-1-phosphonato-ethyl)phosphonic acid tetrahydrate

Systemtic Name: disodium (2-imidazol-1-yl-1-oxidanyl-1-phosphonato-ethyl)phosphonic acid tetrahydrate Openeye Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphonic acid tetrahydrate CAS Name: disodium [1-hydroxy-2-(1-imidazolyl)-1-phosphonatoethyl]phosphonic acid tetrahydrate IUPAC Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphonic acid tetrahydrate Traditional Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphonic acid tetrahydrate Formula: C5H16N2Na2O11P2 MolecularWeight: 388.114402

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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.O.O.O.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C5H10N2O7P2.2Na.4H2O/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);;;4*1H2/q;2*+1;;;;/p-2