(4-cyanophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (4-cyanophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (4-cyanophenyl) ester Formula: C14H7ClF3NO3S MolecularWeight: 361.72349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H7ClF3NO3S/c15-13-6-5-11(7-12(13)14(16,17)18)23(20,21)22-10-3-1-9(8-19)2-4-10/h1-7H