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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CN(N=C1)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)4-7-3-1-2-6-7;;;/h1-3,8H,4H2,(H2,9,10,11)(H2,12,13,14);;;1H2/q;2*+1;/p-2