[2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2,2,2-tris(bromanyl)-1-pyridin-3-yl-ethyl] 2-(trifluoromethyl)benzoate Openeye Name: [2,2,2-tribromo-1-(3-pyridyl)ethyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2,2,2-tribromo-1-(3-pyridinyl)ethyl] ester IUPAC Name: (2,2,2-tribromo-1-pyridin-3-ylethyl) 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2,2,2-tribromo-1-(3-pyridyl)ethyl] ester Formula: C15H9Br3F3NO2 MolecularWeight: 531.94467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC(C2=CN=CC=C2)C(Br)(Br)Br)C(F)(F)F

InChI

InChI=1S/C15H9Br3F3NO2/c16-14(17,18)12(9-4-3-7-22-8-9)24-13(23)10-5-1-2-6-11(10)15(19,20)21/h1-8,12H