trisodium oxidanyl-(1-oxidanyl-1-phosphonato-2-pyridin-3-yl-ethyl)phosphinate dihydrate

Systemtic Name: trisodium oxidanyl-(1-oxidanyl-1-phosphonato-2-pyridin-3-yl-ethyl)phosphinate dihydrate Openeye Name: trisodium hydroxy-[1-hydroxy-1-phosphonato-2-(3-pyridyl)ethyl]phosphinate dihydrate CAS Name: trisodium hydroxy-[1-hydroxy-1-phosphonato-2-(3-pyridinyl)ethyl]phosphinate dihydrate IUPAC Name: trisodium hydroxy-(1-hydroxy-1-phosphonato-2-pyridin-3-ylethyl)phosphinate dihydrate Traditional Name: trisodium hydroxy-[1-hydroxy-1-phosphonato-2-(3-pyridyl)ethyl]phosphinate dihydrate Formula: C7H12NNa3O9P2 MolecularWeight: 385.088312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO7P2.3Na.2H2O/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;;;;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;;;2*1H2/q;3*+1;;/p-3