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

Systemtic Name: tert-butyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Openeye Name: tert-butyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate CAS Name: 4-(2,4,6-triphenyl-1-pyridin-1-iumyl)benzoic acid tert-butyl ester tetrafluoroborate IUPAC Name: tert-butyl 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoate tetrafluoroborate Traditional Name: 4-(2,4,6-triphenylpyridin-1-ium-1-yl)benzoic acid tert-butyl ester tetrafluoroborate Formula: C34H30BF4NO2 MolecularWeight: 571.412113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)OC(=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.CC(C)(C)OC(=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/C34H30NO2.BF4/c1-34(2,3)37-33(36)28-19-21-30(22-20-28)35-31(26-15-9-5-10-16-26)23-29(25-13-7-4-8-14-25)24-32(35)27-17-11-6-12-18-27;2-1(3,4)5/h4-24H,1-3H3;/q+1;-1