[1,1,1,3,3,3-hexakis(fluoranyl)-2-(trifluoromethyl)propan-2-yl] 2-chloranyl-10-methyl-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: [1,1,1,3,3,3-hexakis(fluoranyl)-2-(trifluoromethyl)propan-2-yl] 2-chloranyl-10-methyl-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl] 2-chloro-10-methyl-acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 2-chloro-10-methyl-9-acridin-10-iumcarboxylic acid [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] ester; trifluoromethanesulfonate IUPAC Name: [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 2-chloro-10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 2-chloro-10-methyl-acridin-10-ium-9-carboxylic acid [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl] ester triflate Formula: C20H10ClF12NO5S MolecularWeight: 639.795938

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

InChI

InChI=1S/C19H10ClF9NO2.CHF3O3S/c1-30-12-5-3-2-4-10(12)14(11-8-9(20)6-7-13(11)30)15(31)32-16(17(21,22)23,18(24,25)26)19(27,28)29;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1