Chem
J-GLOBAL ID：200907000964904766   Nikkaji number：J1.515.134J

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

(E)-2-[(E)-2-[(1R,2R)-2,6,6-トリメチルシクロヘキシル]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： C16H24O3
Molecular formula furigana： C16-H24-O3
Molecular weight： 264.365
InChI： InChI=1S/C16H24O3/c1-12-6-5-10-16(2,3)14(12)8-7-13(9-11-17)15(18)19-4/h7-9,11-12,14H,5-6,10H2,1-4H3/b8-7+,13-9+/t12-,14+/m1/s1
InChI key： ZKIXOLIEAXVZQM-RZBHRIBZSA-N
SMILES： COC(=O)/C(=C/C=O)/C=C/[C@H]1[C@H](C)CCCC1(C)C
Systematic name  (3)：
  • (E)-2-[(E)-2-[(1R,2R)-2,6,6-トリメチルシクロヘキシル]ビニル]-4-オキソ-2-ブテン酸メチル
  • メチル (2E,3E)-2-(2-オキソエチリデン)-4-[(1R,6R)-2,2,6-トリメチルシクロヘキシル]ブタ-3-エノアート
  • methyl (2E,3E)-2-(2-oxoethylidene)-4-[(1R,6R)-2,2,6-trimethylcyclohexyl]but-3-enoate
Other name (1)：
  • (E)-2-[(E)-2-[(1R,2R)-2,6,6-Trimethylcyclohexyl]vinyl]-4-oxo-2-butenoic acid methyl ester
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