Chem
J-GLOBAL ID：200907096950490214   Nikkaji number：J2.174.944C

3-(4-Hydroxybutyl)muconic acid dimethyl ester

3-(4-ヒドロキシブチル)ムコン酸ジメチル
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： C12H18O5
Molecular formula furigana： C12-H18-O5
Molecular weight： 242.271
InChI： InChI=1S/C12H18O5/c1-16-11(14)7-6-10(5-3-4-8-13)9-12(15)17-2/h6-7,9,13H,3-5,8H2,1-2H3/b7-6+,10-9+
InChI key： BRHYYCSKKFEQHD-AVQMFFATSA-N
SMILES： COC(=O)/C=C/C(=C/C(=O)OC)/CCCCO
Systematic name  (3)：
  • 3-(4-ヒドロキシブチル)ムコン酸ジメチル
  • 1,6-ジメチル (2E,4E)-3-(4-ヒドロキシブチル)ヘキサ-2,4-ジエンジオアート
  • 1,6-dimethyl (2E,4E)-3-(4-hydroxybutyl)hexa-2,4-dienedioate
Other name (1)：
  • 3-(4-Hydroxybutyl)muconic acid dimethyl ester
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