3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate

CAS Registry Number®

406205-74-1

CAS Name

3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate

Molecular Formula

C18H13F6NO4S

Molecular Mass

453.36

Cite this Page

3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=406205-74-1 (retrieved 2025-05-19) (CAS RN: 406205-74-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2

InChIKey

InChIKey=LWUSZIVDPJPVBW-UHFFFAOYSA-N

SMILES

C(#N)C1=C(C(F)(F)F)C=CC=C1OC2=CC(OS(CCCC(F)(F)F)(=O)=O)=CC=C2

Canonical SMILES

N#CC=1C(OC2=CC=CC(OS(=O)(=O)CCCC(F)(F)F)=C2)=CC=CC1C(F)(F)F

Other Names for this Substance

  • 1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl ester
  • 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate
  • BAY 59-3074
  • BAY 593074

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