sodium oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate trihydrate

Systemtic Name: sodium oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate trihydrate Openeye Name: sodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate trihydrate CAS Name: sodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphinate trihydrate IUPAC Name: sodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate trihydrate Traditional Name: sodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate trihydrate Formula: C7H16NNaO10P2 MolecularWeight: 359.139932

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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.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO7P2.Na.3H2O/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);;3*1H2/q;+1;;;/p-1