[2,3,6-tris(fluoranyl)phenyl] 1,6-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: [2,3,6-tris(fluoranyl)phenyl] 1,6-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate Openeye Name: (2,3,6-trifluorophenyl) 1,6-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 1,6-dimethoxy-10-methyl-9-acridin-10-iumcarboxylic acid (2,3,6-trifluorophenyl) ester IUPAC Name: (2,3,6-trifluorophenyl) 1,6-dimethoxy-10-methylacridin-10-ium-9-carboxylate Traditional Name: 1,6-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid (2,3,6-trifluorophenyl) ester Formula: C23H17F3NO4+ MolecularWeight: 428.38059

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C(C3=C1C=CC=C3OC)C(=O)OC4=C(C=CC(=C4F)F)F)OC

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C(C3=C1C=CC=C3OC)C(=O)OC4=C(C=CC(=C4F)F)F)OC

InChI

InChI=1S/C23H17F3NO4/c1-27-16-5-4-6-18(30-3)20(16)19(13-8-7-12(29-2)11-17(13)27)23(28)31-22-15(25)10-9-14(24)21(22)26/h4-11H,1-3H3/q+1