(5-fluoranyl-2-nitro-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C13H6ClF4NO5S MolecularWeight: 399.702053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H6ClF4NO5S/c14-10-3-2-8(6-9(10)13(16,17)18)25(22,23)24-12-5-7(15)1-4-11(12)19(20)21/h1-6H