[1-[dioxidanyl(oxidanyl)phosphoryl]-1-phosphono-2-pyridin-3-yl-ethyl]phosphonic acid

Systemtic Name: [1-[dioxidanyl(oxidanyl)phosphoryl]-1-phosphono-2-pyridin-3-yl-ethyl]phosphonic acid Openeye Name: [1-[hydroperoxy(hydroxy)phosphoryl]-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid CAS Name: [1-[hydroperoxy(hydroxy)phosphoryl]-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid IUPAC Name: [1-[hydroperoxy(hydroxy)phosphoryl]-1-phosphono-2-pyridin-3-ylethyl]phosphonic acid Traditional Name: [1-[hydroperoxy(hydroxy)phosphoryl]-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid Formula: C7H12NO10P3 MolecularWeight: 363.092163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)OO

Isomeric SMILES

C1=CC(=CN=C1)CC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)OO

InChI

InChI=1S/C7H12NO10P3/c9-18-21(16,17)7(19(10,11)12,20(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H,16,17)(H2,10,11,12)(H2,13,14,15)