O-[4-(trifluoromethyl)phenyl] 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-[4-(trifluoromethyl)phenyl] 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; O-[4-(trifluoromethyl)phenyl] 10-methylacridin-10-ium-9-carbothioate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-[4-(trifluoromethyl)phenyl] ester; trifluoromethanesulfonate IUPAC Name: trifluoromethanesulfonate; O-[4-(trifluoromethyl)phenyl] 10-methylacridin-10-ium-9-carbothioate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-[4-(trifluoromethyl)phenyl] ester triflate Formula: C23H15F6NO4S2 MolecularWeight: 547.489919

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=S)OC4=CC=C(C=C4)C(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(=S)OC4=CC=C(C=C4)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H15F3NOS.CHF3O3S/c1-26-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)26)21(28)27-15-12-10-14(11-13-15)22(23,24)25;2-1(3,4)8(5,6)7/h2-13H,1H3;(H,5,6,7)/q+1;/p-1