[4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] ester IUPAC Name: [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]phenyl] ester Formula: C19H12BrClF3NO3S MolecularWeight: 506.72069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H12BrClF3NO3S/c20-14-3-7-16(8-4-14)29(26,27)28-15-5-1-12(2-6-15)9-18-17(21)10-13(11-25-18)19(22,23)24/h1-8,10-11H,9H2