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

Systemtic Name: O-(4-hydroxyphenyl) 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-(4-hydroxyphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-(4-hydroxyphenyl) ester; trifluoromethanesulfonate IUPAC Name: O-(4-hydroxyphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-(4-hydroxyphenyl) ester triflate Formula: C22H16F3NO5S2 MolecularWeight: 495.49135

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

InChI

InChI=1S/C21H15NO2S.CHF3O3S/c1-22-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)22)21(25)24-15-12-10-14(23)11-13-15;2-1(3,4)8(5,6)7/h2-13H,1H3;(H,5,6,7)