1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl 2-fluoranyl-10-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: 1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl 2-fluoranyl-10-methyl-acridin-10-ium-9-carboxylate Openeye Name: [1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl] 2-fluoro-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 2-fluoro-10-methyl-9-acridin-10-iumcarboxylic acid 1,1,1,2,3,3-hexafluoropropan-2-yl ester IUPAC Name: 1,1,1,2,3,3-hexafluoropropan-2-yl 2-fluoro-10-methylacridin-10-ium-9-carboxylate Traditional Name: 2-fluoro-10-methyl-acridin-10-ium-9-carboxylic acid [1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl] ester Formula: C18H11F7NO2+ MolecularWeight: 406.274262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC(C(F)F)(C(F)(F)F)F)F

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC(C(F)F)(C(F)(F)F)F)F

InChI

InChI=1S/C18H11F7NO2/c1-26-12-5-3-2-4-10(12)14(11-8-9(19)6-7-13(11)26)15(27)28-17(22,16(20)21)18(23,24)25/h2-8,16H,1H3/q+1