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

Systemtic Name: sodium (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid pentahydrate Openeye Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid pentahydrate CAS Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid pentahydrate IUPAC Name: sodium (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid pentahydrate Traditional Name: sodium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid pentahydrate Formula: C7H21NNaO12P2+ MolecularWeight: 396.178432

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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.O.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO7P2.Na.5H2O/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);;5*1H2/q;+1;;;;;