sodium; ethanoic acid; oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate

Systemtic Name: sodium; ethanoic acid; oxidanyl-(1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphinate Openeye Name: sodium; acetic acid; hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate CAS Name: sodium; acetic acid; hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphinate IUPAC Name: sodium; acetic acid; hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate Traditional Name: sodium; acetic acid; hydroxy-[1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphinate Formula: C11H18NNaO11P2 MolecularWeight: 425.198012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO7P2.2C2H4O2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;2*1-2(3)4;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);2*1H3,(H,3,4);/q;;;+1/p-1