O-(4-fluorophenyl) 3-methoxy-10-methyl-acridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-(4-fluorophenyl) 3-methoxy-10-methyl-acridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-(4-fluorophenyl) 3-methoxy-10-methyl-acridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 3-methoxy-10-methyl-9-acridin-10-iumcarbothioic acid O-(4-fluorophenyl) ester; trifluoromethanesulfonate IUPAC Name: O-(4-fluorophenyl) 3-methoxy-10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 3-methoxy-10-methyl-acridin-10-ium-9-carbothioic acid O-(4-fluorophenyl) ester triflate Formula: C23H17F4NO5S2 MolecularWeight: 527.508393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17FNO2S.CHF3O3S/c1-24-19-6-4-3-5-17(19)21(18-12-11-16(25-2)13-20(18)24)22(27)26-15-9-7-14(23)8-10-15;2-1(3,4)8(5,6)7/h3-13H,1-2H3;(H,5,6,7)/q+1;/p-1