O-naphthalen-1-yl 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: O-naphthalen-1-yl 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: O-(1-naphthyl) 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioic acid O-(1-naphthalenyl) ester; trifluoromethanesulfonate IUPAC Name: O-naphthalen-1-yl 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioic acid O-(1-naphthyl) ester triflate Formula: C26H18F3NO4S2 MolecularWeight: 529.55063

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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=CC5=CC=CC=C54.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=CC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H18NOS.CHF3O3S/c1-26-21-14-6-4-12-19(21)24(20-13-5-7-15-22(20)26)25(28)27-23-16-8-10-17-9-2-3-11-18(17)23;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1