[1,1,1,3,3,3-hexakis(fluoranyl)-2-phenyl-propan-2-yl] 2,3-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate

Systemtic Name: [1,1,1,3,3,3-hexakis(fluoranyl)-2-phenyl-propan-2-yl] 2,3-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate Openeye Name: [2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl] 2,3-dimethoxy-10-methyl-acridin-10-ium-9-carboxylate CAS Name: 2,3-dimethoxy-10-methyl-9-acridin-10-iumcarboxylic acid (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) ester IUPAC Name: (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2,3-dimethoxy-10-methylacridin-10-ium-9-carboxylate Traditional Name: 2,3-dimethoxy-10-methyl-acridin-10-ium-9-carboxylic acid [2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl] ester Formula: C26H20F6NO4+ MolecularWeight: 524.431719

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C(=CC2=C(C3=CC=CC=C31)C(=O)OC(C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F)OC)OC

Isomeric SMILES

C[N+]1=C2C=C(C(=CC2=C(C3=CC=CC=C31)C(=O)OC(C4=CC=CC=C4)(C(F)(F)F)C(F)(F)F)OC)OC

InChI

InChI=1S/C26H20F6NO4/c1-33-18-12-8-7-11-16(18)22(17-13-20(35-2)21(36-3)14-19(17)33)23(34)37-24(25(27,28)29,26(30,31)32)15-9-5-4-6-10-15/h4-14H,1-3H3/q+1