(2,6-diethanoylphenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,6-diethanoylphenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (2,6-diacetylphenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (2,6-diacetylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (2,6-diacetylphenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (2,6-diacetylphenyl) ester triflate Formula: C26H20F3NO7S MolecularWeight: 547.49971

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)C(=O)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)C(=O)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H20NO4.CHF3O3S/c1-15(27)17-11-8-12-18(16(2)28)24(17)30-25(29)23-19-9-4-6-13-21(19)26(3)22-14-7-5-10-20(22)23;2-1(3,4)8(5,6)7/h4-14H,1-3H3;(H,5,6,7)/q+1;/p-1