1,1,1-tris(fluoranyl)-2-oxidanyl-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one

Systemtic Name: 1,1,1-tris(fluoranyl)-2-oxidanyl-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one Openeye Name: 1,1,1-trifluoro-2-hydroxy-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one CAS Name: 1,1,1-trifluoro-2-hydroxy-7-(1-pyridin-1-iumyl)-2-(trifluoromethyl)-4-heptanone IUPAC Name: 1,1,1-trifluoro-2-hydroxy-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one Traditional Name: 1,1,1-trifluoro-2-hydroxy-7-pyridin-1-ium-1-yl-2-(trifluoromethyl)heptan-4-one Formula: C13H14F6NO2+ MolecularWeight: 330.246179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F6NO2/c14-12(15,16)11(22,13(17,18)19)9-10(21)5-4-8-20-6-2-1-3-7-20/h1-3,6-7,22H,4-5,8-9H2/q+1