ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate

Systemtic Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Openeye Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid ethyl ester tetrafluoroborate IUPAC Name: ethyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid ethyl ester tetrafluoroborate Formula: C32H26BF4NO2 MolecularWeight: 543.358953

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CCOC(=O)C1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H26NO2.BF4/c1-2-35-32(34)27-18-20-29(21-19-27)33-30(25-14-8-4-9-15-25)22-28(24-12-6-3-7-13-24)23-31(33)26-16-10-5-11-17-26;2-1(3,4)5/h3-23H,2H2,1H3;/q+1;-1