[1-phosphono-2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid

Systemtic Name: [1-phosphono-2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Openeye Name: [1-phosphono-2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid CAS Name: [1-phosphono-2-[4-(trifluoromethyl)-1-pyridin-1-iumyl]ethyl]phosphonic acid IUPAC Name: [1-phosphono-2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Traditional Name: [1-phosphono-2-[4-(trifluoromethyl)pyridin-1-ium-1-yl]ethyl]phosphonic acid Formula: C8H11F3NO6P2+ MolecularWeight: 336.118772

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(F)(F)F)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=C[N+](=CC=C1C(F)(F)F)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H10F3NO6P2/c9-8(10,11)6-1-3-12(4-2-6)5-7(19(13,14)15)20(16,17)18/h1-4,7H,5H2,(H3-,13,14,15,16,17,18)/p+1