(4-hydroxyphenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-hydroxyphenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (4-hydroxyphenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (4-hydroxyphenyl) ester; trifluoromethanesulfonate IUPAC Name: (4-hydroxyphenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (4-hydroxyphenyl) 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=C(C=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=C(C=C4)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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