Benzoic acid, 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]-, ethyl ester

CAS Registry Number®

870823-09-9
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CAS Name

Benzoic acid, 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]-, ethyl ester

Molecular Formula

C21H17Cl2F3N2O5S

Molecular Mass

537.34

Cite this Page

Benzoic acid, 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=870823-09-9 (retrieved 2024-08-31) (CAS RN: 870823-09-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H17Cl2F3N2O5S/c1-3-32-20(29)14-6-4-13(5-7-14)12(2)28-19(33-34(30,31)21(24,25)26)11-18(27-28)15-8-16(22)10-17(23)9-15/h4-12H,3H2,1-2H3/t12-/m0/s1

InChIKey

InChIKey=AXQYETYTUKRFPY-LBPRGKRZSA-N

SMILES

[C@@H](C)(N1C(OS(C(F)(F)F)(=O)=O)=CC(=N1)C2=CC(Cl)=CC(Cl)=C2)C3=CC=C(C(OCC)=O)C=C3

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)C(N2N=C(C=C2OS(=O)(=O)C(F)(F)F)C=3C=C(Cl)C=C(Cl)C3)C

Other Names for this Substance

  • Benzoic acid, 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]-, ethyl ester
  • Ethyl 4-[(1S)-1-[3-(3,5-dichlorophenyl)-5-[[(trifluoromethyl)sulfonyl]oxy]-1H-pyrazol-1-yl]ethyl]benzoate
  • (S)-Ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(trifluoromethylsulfonyloxy)-1H-pyrazol-1-yl)ethyl)benzoate
  • (S)-Ethyl 4-(1-(3-(3,5-dichlorophenyl)-5-(((trifluoromethyl)sulfonyl)oxy)-1H-pyrazol-1-yl)ethyl)benzoate