O-(4-methoxyphenyl) 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-(4-methoxyphenyl) 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-(4-methoxyphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-(4-methoxyphenyl) ester; trifluoromethanesulfonate IUPAC Name: O-(4-methoxyphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-(4-methoxyphenyl) ester triflate Formula: C23H18F3NO5S2 MolecularWeight: 509.51793

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

InChI

InChI=1S/C22H18NO2S.CHF3O3S/c1-23-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)23)22(26)25-16-13-11-15(24-2)12-14-16;2-1(3,4)8(5,6)7/h3-14H,1-2H3;(H,5,6,7)/q+1;/p-1