(2-methylphenyl) acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (2-methylphenyl) acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: o-tolyl acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 9-acridin-10-iumcarboxylic acid (2-methylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (2-methylphenyl) acridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: acridin-10-ium-9-carboxylic acid o-tolyl ester triflate Formula: C22H16F3NO5S MolecularWeight: 463.42635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[NH+]C4=CC=CC=C42.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[NH+]C4=CC=CC=C42.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H15NO2.CHF3O3S/c1-14-8-2-7-13-19(14)24-21(23)20-15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20;2-1(3,4)8(5,6)7/h2-13H,1H3;(H,5,6,7)