Chem
J-GLOBAL ID：200907012407522131   Nikkaji number：J932.837H

(E)-2-[(E)-2-(2,6,6-Trimethyl-1-cyclohexenyl)vinyl]-4-oxo-2-butenoic acid methyl ester

(E)-2-[(E)-2-(2,6,6-トリメチル-1-シクロヘキセニル)ビニル]-4-オキソ-2-ブテン酸メチル
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： C16H22O3
Molecular formula furigana： C16-H22-O3
Molecular weight： 262.349
InChI： InChI=1S/C16H22O3/c1-12-6-5-10-16(2,3)14(12)8-7-13(9-11-17)15(18)19-4/h7-9,11H,5-6,10H2,1-4H3/b8-7+,13-9+
InChI key： ABLLMNKGCCQLSX-NJHPPEEMSA-N
SMILES： COC(=O)/C(=C/C=O)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (5)：
  • (E)-2-[(E)-2-(2,6,6-トリメチル-1-シクロヘキセニル)ビニル]-4-オキソ-2-ブテン酸メチル
  • (3E)-2-[(E)-2-オキソエチリデン]-4-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-3-ブテン酸メチル
  • (3E)-2-[(E)-2-オキソエチリデン]-4-(2,6,6-トリメチル-1-シクロヘキセニル)-3-ブテン酸メチル
  • メチル (2E,3E)-2-(2-オキソエチリデン)-4-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ブタ-3-エノアート
  • methyl (2E,3E)-2-(2-oxoethylidene)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enoate
Other name (3)：
  • (3E)-2-[(E)-2-Oxoethylidene]-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-butenoic acid methyl ester
  • (3E)-2-[(E)-2-Oxoethylidene]-4-(2,6,6-trimethyl-1-cyclohexene-1-yl)-3-butenoic acid methyl ester
  • (E)-2-[(E)-2-(2,6,6-Trimethyl-1-cyclohexenyl)vinyl]-4-oxo-2-butenoic acid methyl ester
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