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

Systemtic Name: (4-nitrophenyl) 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Openeye Name: (4-nitrophenyl) 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonate CAS Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonate Traditional Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]benzenesulfonic acid (4-nitrophenyl) ester Formula: C18H10ClF3N2O6S MolecularWeight: 474.79501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H10ClF3N2O6S/c19-16-9-11(18(20,21)22)10-23-17(16)29-13-5-7-15(8-6-13)31(27,28)30-14-3-1-12(2-4-14)24(25)26/h1-10H