1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: [1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl] 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid 1,1,1,2,3,3-hexafluoropropan-2-yl ester; trifluoromethanesulfonate IUPAC Name: 1,1,1,2,3,3-hexafluoropropan-2-yl 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid [1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl] ester triflate Formula: C19H12F9NO5S MolecularWeight: 537.352909

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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.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12F6NO2.CHF3O3S/c1-25-12-8-4-2-6-10(12)14(11-7-3-5-9-13(11)25)15(26)27-17(21,16(19)20)18(22,23)24;2-1(3,4)8(5,6)7/h2-9,16H,1H3;(H,5,6,7)/q+1;/p-1