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

Systemtic Name: disodium (2-imidazol-1-yl-1-oxidanyl-1-phosphonato-ethyl)phosphonic acid hydrate Openeye Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphonic acid hydrate CAS Name: disodium [1-hydroxy-2-(1-imidazolyl)-1-phosphonatoethyl]phosphonic acid hydrate IUPAC Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonatoethyl)phosphonic acid hydrate Traditional Name: disodium (1-hydroxy-2-imidazol-1-yl-1-phosphonato-ethyl)phosphonic acid hydrate Formula: C5H10N2Na2O8P2 MolecularWeight: 334.068562

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C5H10N2O7P2.2Na.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;2*+1;/p-2