Chem
J-GLOBAL ID：201707017398244900   Nikkaji number：J3.603.186G

(5R)-3-(Trifluoroacetyl)-4-hydroxy-5β-[(E)-2-methyl-1,3-butadienyl]-5-methyl-2,5-dihydrothiophene-2-one

(5R)-3-(トリフルオロアセチル)-4-ヒドロキシ-5β-[(E)-2-メチル-1,3-ブタジエニル]-5-メチル-2,5-ジヒドロチオフェン-2-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： C12H11F3O3S
Molecular formula furigana： C12-H11-F3-O3-S
Molecular weight： 292.270
InChI： InChI=1S/C12H11F3O3S/c1-4-6(2)5-11(3)8(16)7(10(18)19-11)9(17)12(13,14)15/h4-5,16H,1H2,2-3H3/b6-5+/t11-/m1/s1
InChI key： GYCDWYUIZVRBIM-MVIFTORASA-N
SMILES： C/C(=C\[C@@]1(C)SC(=O)C(=C1O)C(=O)C(F)(F)F)/C=C
Systematic name  (3)：
  • (5R)-3-(トリフルオロアセチル)-4-ヒドロキシ-5β-[(E)-2-メチル-1,3-ブタジエニル]-5-メチル-2,5-ジヒドロチオフェン-2-オン
  • (5R)-4-ヒドロキシ-5-メチル-5-[(1E)-2-メチルブタ-1,3-ジエン-1-イル]-3-(2,2,2-トリフルオロアセチル)-2,5-ジヒドロチオフェン-2-オン
  • (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-(2,2,2-trifluoroacetyl)-2,5-dihydrothiophen-2-one
Other name (1)：
  • (5R)-3-(Trifluoroacetyl)-4-hydroxy-5β-[(E)-2-methyl-1,3-butadienyl]-5-methyl-2,5-dihydrothiophene-2-one
Thsaurus map：
Thesaurus Map

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