Chem
J-GLOBAL ID：200907002844967414   Nikkaji number：J2.669.845F

2-(6-Heptynyl)malonic acid dimethyl ester

2-(6-ヘプチニル)マロン酸ジメチル
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/c1-4-5-6-7-8-9-10(11(13)15-2)12(14)16-3/h1,10H,5-9H2,2-3H3
InChI key： JWBOYXCVPIPRAF-UHFFFAOYSA-N
SMILES： COC(=O)C(CCCCCC#C)C(=O)OC
Systematic name  (3)：
  • 2-(6-ヘプチニル)マロン酸ジメチル
  • 1,3-ジメチル 2-(ヘプタ-6-イン-1-イル)プロパンジオアート
  • 1,3-dimethyl 2-(hept-6-yn-1-yl)propanedioate
Other name (1)：
  • 2-(6-Heptynyl)malonic acid dimethyl ester
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