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

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C13H7F4NO5S MolecularWeight: 365.256993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H7F4NO5S/c14-9-4-5-11(18(19)20)12(7-9)23-24(21,22)10-3-1-2-8(6-10)13(15,16)17/h1-7H