2-[9-(2-methyl-6-nitro-phenoxy)carbonylacridin-10-ium-10-yl]ethanoic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[9-(2-methyl-6-nitro-phenoxy)carbonylacridin-10-ium-10-yl]ethanoic acid; tris(fluoranyl)methanesulfonate Openeye Name: 2-[9-(2-methyl-6-nitro-phenoxy)carbonylacridin-10-ium-10-yl]acetic acid; trifluoromethanesulfonate CAS Name: 2-[9-[(2-methyl-6-nitrophenoxy)-oxomethyl]-10-acridin-10-iumyl]acetic acid; trifluoromethanesulfonate IUPAC Name: 2-[9-(2-methyl-6-nitrophenoxy)carbonylacridin-10-ium-10-yl]acetic acid; trifluoromethanesulfonate Traditional Name: 2-[9-(2-methyl-6-nitro-phenoxy)carbonylacridin-10-ium-10-yl]acetic acid triflate Formula: C24H17F3N2O9S MolecularWeight: 566.45999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H16N2O6.CHF3O3S/c1-14-7-6-12-19(25(29)30)22(14)31-23(28)21-15-8-2-4-10-17(15)24(13-20(26)27)18-11-5-3-9-16(18)21;2-1(3,4)8(5,6)7/h2-12H,13H2,1H3;(H,5,6,7)