Chem
J-GLOBAL ID：200907057309365641   Nikkaji number：J2.589.894J

3-(2-Thenoyl)-4-phenyl-2-(trifluoromethyl)-2-hydroxy-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one

3-(2-テノイル)-4-フェニル-2-(トリフルオロメチル)-2-ヒドロキシ-2,3,4,6,7,8-ヘキサヒドロ-5H-1-ベンゾピラン-5-オン
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： C21H17F3O4S
Molecular formula furigana： C21-H17-F3-O4-S
Molecular weight： 422.420
InChI： InChI=1S/C21H17F3O4S/c22-21(23,24)20(27)18(19(26)15-10-5-11-29-15)16(12-6-2-1-3-7-12)17-13(25)8-4-9-14(17)28-20/h1-3,5-7,10-11,16,18,27H,4,8-9H2
InChI key： ISKYAENVRBXZQY-UHFFFAOYSA-N
SMILES： OC1(OC2=C(C(C1C(=O)c1cccs1)c1ccccc1)C(=O)CCC2)C(F)(F)F
Systematic name  (4)：
  • 2-ヒドロキシ-2-(トリフルオロメチル)-3-(2-チエニルカルボニル)-4-フェニル-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
  • 3-(2-テノイル)-4-フェニル-2-(トリフルオロメチル)-2-ヒドロキシ-2,3,4,6,7,8-ヘキサヒドロ-5H-1-ベンゾピラン-5-オン
  • 2-ヒドロキシ-4-フェニル-3-(チオフェン-2-カルボニル)-2-(トリフルオロメチル)-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
  • 2-hydroxy-4-phenyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Other name (2)：
  • 2-Hydroxy-2-(trifluoromethyl)-3-(2-thienylcarbonyl)-4-phenyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
  • 3-(2-Thenoyl)-4-phenyl-2-(trifluoromethyl)-2-hydroxy-2,3,4,6,7,8-hexahydro-5H-1-benzopyran-5-one
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