disodium oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate pentahydrate

Systemtic Name: disodium oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate pentahydrate Openeye Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate pentahydrate CAS Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphinate pentahydrate IUPAC Name: disodium hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate pentahydrate Traditional Name: disodium hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate pentahydrate Formula: C14H30N2Na2O19P4 MolecularWeight: 700.264584

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H11NO7P2.2Na.5H2O/c2*9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;;;;;;;/h2*1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);;;5*1H2/q;;2*+1;;;;;/p-2