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

Systemtic Name: O-phenyl 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-phenyl 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-phenyl ester; trifluoromethanesulfonate IUPAC Name: O-phenyl 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-phenyl ester triflate Formula: C22H16F3NO4S2 MolecularWeight: 479.49195

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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=CC=C4.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=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H16NOS.CHF3O3S/c1-22-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)22)21(24)23-15-9-3-2-4-10-15;2-1(3,4)8(5,6)7/h2-14H,1H3;(H,5,6,7)/q+1;/p-1