sodium (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid hydrate

Systemtic Name: sodium (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid hydrate Openeye Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid hydrate CAS Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid hydrate IUPAC Name: sodium (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid hydrate Traditional Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid hydrate Formula: C7H13NNaO8P2+ MolecularWeight: 324.117312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO7P2.Na.H2O/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);;1H2/q;+1;