[1-oxidanyl-1-phosphono-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid

Systemtic Name: [1-oxidanyl-1-phosphono-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid CAS Name: [1-hydroxy-1-phosphono-2-[3-(trifluoromethyl)-1-pyridin-1-iumyl]ethyl]phosphonic acid IUPAC Name: [1-hydroxy-1-phosphono-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Formula: C8H11F3NO7P2+ MolecularWeight: 352.118172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C8H10F3NO7P2/c9-8(10,11)6-2-1-3-12(4-6)5-7(13,20(14,15)16)21(17,18)19/h1-4,13H,5H2,(H3-,14,15,16,17,18,19)/p+1