Chem
J-GLOBAL ID：200907063326963820   Nikkaji number：J888.231B

1-(3-Oxobutyl)-2-oxocyclohexanecarboxylic acid methyl ester

1-(3-オキソブチル)-2-オキソシクロヘキサンカルボン酸メチル
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： C12H18O4
Molecular formula furigana： C12-H18-O4
Molecular weight： 226.272
InChI： InChI=1S/C12H18O4/c1-9(13)6-8-12(11(15)16-2)7-4-3-5-10(12)14/h3-8H2,1-2H3
InChI key： MFTSIBMAHLTEGQ-UHFFFAOYSA-N
SMILES： COC(=O)C1(CCC(=O)C)CCCCC1=O
Systematic name  (3)：
  • 1-(3-オキソブチル)-2-オキソシクロヘキサンカルボン酸メチル
  • メチル 2-オキソ-1-(3-オキソブチル)シクロヘキサン-1-カルボキシラート
  • methyl 2-oxo-1-(3-oxobutyl)cyclohexane-1-carboxylate
Other name (1)：
  • 1-(3-Oxobutyl)-2-oxocyclohexanecarboxylic acid methyl ester
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