Chem
J-GLOBAL ID：200907080884838197   Nikkaji number：J2.103.408H

3-(Trifluoromethyl)-4-oxo-4-(ethylthio)butanoic acid ethyl ester

3-(トリフルオロメチル)-4-オキソ-4-(エチルチオ)ブタン酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H13F3O3S
Molecular formula furigana： C9-H13-F3-O3-S
Molecular weight： 258.260
InChI： InChI=1S/C9H13F3O3S/c1-3-15-7(13)5-6(9(10,11)12)8(14)16-4-2/h6H,3-5H2,1-2H3
InChI key： MVZHRQLFXZPIAY-UHFFFAOYSA-N
SMILES： CCOC(=O)CC(C(=O)SCC)C(F)(F)F
Systematic name  (3)：
  • 3-(トリフルオロメチル)-4-オキソ-4-(エチルチオ)ブタン酸エチル
  • エチル 3-[(エチルスルファニル)カルボニル]-4,4,4-トリフルオロブタノアート
  • ethyl 3-[(ethylsulfanyl)carbonyl]-4,4,4-trifluorobutanoate
Other name (1)：
  • 3-(Trifluoromethyl)-4-oxo-4-(ethylthio)butanoic acid ethyl ester
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