phenyl 10-methyl-2-oxidanyl-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl 10-methyl-2-oxidanyl-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: phenyl 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 2-hydroxy-10-methyl-9-acridin-10-iumcarboxylic acid phenyl ester; trifluoromethanesulfonate IUPAC Name: phenyl 2-hydroxy-10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 2-hydroxy-10-methyl-acridin-10-ium-9-carboxylic acid phenyl ester triflate Formula: C22H16F3NO6S MolecularWeight: 479.42575

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H15NO3.CHF3O3S/c1-22-18-10-6-5-9-16(18)20(17-13-14(23)11-12-19(17)22)21(24)25-15-7-3-2-4-8-15;2-1(3,4)8(5,6)7/h2-13H,1H3;(H,5,6,7)