[2-(3-fluoranyl-5-phenyl-pyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(3-fluoranyl-5-phenyl-pyridin-1-ium-1-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(3-fluoro-5-phenyl-pyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-fluoro-5-phenyl-1-pyridin-1-iumyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(3-fluoro-5-phenylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(3-fluoro-5-phenyl-pyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C13H15FNO7P2+ MolecularWeight: 378.206625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C[N+](=C2)CC(O)(P(=O)(O)O)P(=O)(O)O)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C[N+](=C2)CC(O)(P(=O)(O)O)P(=O)(O)O)F

InChI

InChI=1S/C13H14FNO7P2/c14-12-6-11(10-4-2-1-3-5-10)7-15(8-12)9-13(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H3-,17,18,19,20,21,22)/p+1