Chem
J-GLOBAL ID:200907074796238163   Nikkaji number:J2.449.714C

2-[2-(4-Bromobenzoyl)-3-oxocyclohexyl]malonic acid diethyl ester

2-[2-(4-ブロモベンゾイル)-3-オキソシクロヘキシル]マロン酸ジエチル
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: C20H23BrO6
Molecular formula furigana: C20-H23-BR-O6
Molecular weight: 439.302
InChI: InChI=1S/C20H23BrO6/c1-3-26-19(24)17(20(25)27-4-2)14-6-5-7-15(22)16(14)18(23)12-8-10-13(21)11-9-12/h8-11,14,16-17H,3-7H2,1-2H3
InChI key: CQLCESGMCPQVAE-UHFFFAOYSA-N
SMILES: CCOC(=O)C(C1CCCC(=O)C1C(=O)c1ccc(Br)cc1)C(=O)OCC
Systematic name  (3):
  • 2-[2-(4-ブロモベンゾイル)-3-オキソシクロヘキシル]マロン酸ジエチル
  • 1,3-ジエチル 2-[2-(4-ブロモベンゾイル)-3-オキソシクロヘキシル]プロパンジオアート
  • 1,3-diethyl 2-[2-(4-bromobenzoyl)-3-oxocyclohexyl]propanedioate
Other name (1):
  • 2-[2-(4-Bromobenzoyl)-3-oxocyclohexyl]malonic acid diethyl ester
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