O-(2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-(2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-(2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-(2,6-dimethylphenyl) ester; trifluoromethanesulfonate IUPAC Name: O-(2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-(2,6-dimethylphenyl) ester triflate Formula: C24H20F3NO4S2 MolecularWeight: 507.54511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=S)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=S)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H20NOS.CHF3O3S/c1-15-9-8-10-16(2)22(15)25-23(26)21-17-11-4-6-13-19(17)24(3)20-14-7-5-12-18(20)21;2-1(3,4)8(5,6)7/h4-14H,1-3H3;(H,5,6,7)/q+1;/p-1