(4-cyanophenyl) 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Openeye Name: (4-cyanophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonic acid (4-cyanophenyl) ester Formula: C19H10ClF3N2O4S MolecularWeight: 454.80691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H10ClF3N2O4S/c20-17-9-13(19(21,22)23)11-25-18(17)28-14-5-7-16(8-6-14)30(26,27)29-15-3-1-12(10-24)2-4-15/h1-9,11H