2-[9-(3-methylphenoxy)carbonylacridin-10-ium-10-yl]ethanoic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[9-(3-methylphenoxy)carbonylacridin-10-ium-10-yl]ethanoic acid; tris(fluoranyl)methanesulfonate Openeye Name: 2-[9-(3-methylphenoxy)carbonylacridin-10-ium-10-yl]acetic acid; trifluoromethanesulfonate CAS Name: 2-[9-[(3-methylphenoxy)-oxomethyl]-10-acridin-10-iumyl]acetic acid; trifluoromethanesulfonate IUPAC Name: 2-[9-(3-methylphenoxy)carbonylacridin-10-ium-10-yl]acetic acid; trifluoromethanesulfonate Traditional Name: 2-[9-(3-methylphenoxy)carbonylacridin-10-ium-10-yl]acetic acid triflate Formula: C24H18F3NO7S MolecularWeight: 521.46243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)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=CC(=CC=C1)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/C23H17NO4.CHF3O3S/c1-15-7-6-8-16(13-15)28-23(27)22-17-9-2-4-11-19(17)24(14-21(25)26)20-12-5-3-10-18(20)22;2-1(3,4)8(5,6)7/h2-13H,14H2,1H3;(H,5,6,7)