9-isothiocyanato-10-methyl-acridin-10-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 9-isothiocyanato-10-methyl-acridin-10-ium; tris(fluoranyl)methanesulfonate Openeye Name: 9-isothiocyanato-10-methyl-acridin-10-ium; trifluoromethanesulfonate CAS Name: 9-isothiocyanato-10-methylacridin-10-ium; trifluoromethanesulfonate IUPAC Name: 9-isothiocyanato-10-methylacridin-10-ium; trifluoromethanesulfonate Traditional Name: 9-isothiocyanato-10-methyl-acridin-10-ium triflate Formula: C16H11F3N2O3S2 MolecularWeight: 400.39535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N2S.CHF3O3S/c1-17-13-8-4-2-6-11(13)15(16-10-18)12-7-3-5-9-14(12)17;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1