Chem
J-GLOBAL ID：200907020922701750   Nikkaji number：J2.589.896F

2-Hydroxy-2-(trifluoromethyl)-3-(2-thienylcarbonyl)-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one

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-(4-メトキシフェニル)-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
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： C22H19F3O5S
Molecular formula furigana： C22-H19-F3-O5-S
Molecular weight： 452.440
InChI： InChI=1S/C22H19F3O5S/c1-29-13-9-7-12(8-10-13)17-18-14(26)4-2-5-15(18)30-21(28,22(23,24)25)19(17)20(27)16-6-3-11-31-16/h3,6-11,17,19,28H,2,4-5H2,1H3
InChI key： MKOWHKXSNNMOEX-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)C1C(C(=O)c2cccs2)C(O)(OC2=C1C(=O)CCC2)C(F)(F)F
Systematic name  (3)：
  • 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-(4-メトキシフェニル)-3,4,5,6,7,8-ヘキサヒドロ-2H-1-ベンゾピラン-5-オン
  • 2-ヒドロキシ-4-(4-メトキシフェニル)-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-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Other name (1)：
  • 2-Hydroxy-2-(trifluoromethyl)-3-(2-thienylcarbonyl)-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Thsaurus map：
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