[2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-fluoranyl-3,5-dimethyl-benzenesulfonate

Systemtic Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-fluoranyl-3,5-dimethyl-benzenesulfonate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-fluoro-3,5-dimethyl-benzenesulfonate CAS Name: 4-fluoro-3,5-dimethylbenzenesulfonic acid [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] 4-fluoro-3,5-dimethylbenzenesulfonate Traditional Name: 4-fluoro-3,5-dimethyl-benzenesulfonic acid [2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl] ester Formula: C21H15F4NO6S MolecularWeight: 485.405513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1F)C)S(=O)(=O)OC2=CC=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1F)C)S(=O)(=O)OC2=CC=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H15F4NO6S/c1-12-9-15(10-13(2)20(12)22)33(29,30)32-19-6-4-3-5-18(19)31-17-8-7-14(21(23,24)25)11-16(17)26(27)28/h3-11H,1-2H3