Chem
J-GLOBAL ID：201007047126716980   Nikkaji number：J2.871.502A

2,5-Dimethyl-2,3-epoxy-5,6-[α-(4-chlorophenyl)-4-chlorobenzylidene]-1,4-cyclohexanedione

8,8-ビス(4-クロロフェニル)-1,5-ジメチル-4-オキサトリシクロ[5.1.0.03,5]オクタン-2,6-ジオン
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： C21H16Cl2O3
Molecular formula furigana： C21-H16-CL2-O3
Molecular weight： 387.260
InChI： InChI=1S/C21H16Cl2O3/c1-19-15(16(24)20(2)18(26-20)17(19)25)21(19,11-3-7-13(22)8-4-11)12-5-9-14(23)10-6-12/h3-10,15,18H,1-2H3
InChI key： BLQSZMWLYKLXED-UHFFFAOYSA-N
SMILES： CC12OC1C(=O)C1(C)C(C2=O)C1(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Systematic name  (3)：
  • 2,5-ジメチル-2,3-エポキシ-5,6-[α-(4-クロロフェニル)-4-クロロベンジリデン]-1,4-シクロヘキサンジオン
  • 8,8-ビス(4-クロロフェニル)-1,5-ジメチル-4-オキサトリシクロ[5.1.0.03,5]オクタン-2,6-ジオン
  • 8,8-bis(4-chlorophenyl)-1,5-dimethyl-4-oxatricyclo[5.1.0.03,5]octane-2,6-dione
Other name (1)：
  • 2,5-Dimethyl-2,3-epoxy-5,6-[α-(4-chlorophenyl)-4-chlorobenzylidene]-1,4-cyclohexanedione
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