Chem
J-GLOBAL ID：200907090280424195   Nikkaji number：J1.934.740K

2-[(E)-2-Methyl-3-(1-cyclohexenyl)-2-propenyl]-2-benzylmalonic acid bis(2,2,2-trifluoroethyl) ester

2-[(E)-2-メチル-3-(1-シクロヘキセニル)-2-プロペニル]-2-ベンジルマロン酸ビス(2,2,2-トリフルオロエチル)
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： C24H26F6O4
Molecular formula furigana： C24-H26-F6-O4
Molecular weight： 492.458
InChI： InChI=1S/C24H26F6O4/c1-17(12-18-8-4-2-5-9-18)13-22(14-19-10-6-3-7-11-19,20(31)33-15-23(25,26)27)21(32)34-16-24(28,29)30/h3,6-8,10-12H,2,4-5,9,13-16H2,1H3/b17-12+
InChI key： BOCRHXJAPYJXRE-SFQUDFHCSA-N
SMILES： C/C(=C\C1=CCCCC1)/CC(Cc1ccccc1)(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F
Systematic name  (3)：
  • 2-[(E)-2-メチル-3-(1-シクロヘキセニル)-2-プロペニル]-2-ベンジルマロン酸ビス(2,2,2-トリフルオロエチル)
  • 1,3-ビス(2,2,2-トリフルオロエチル) 2-ベンジル-2-[(2E)-3-(シクロヘキサ-1-エン-1-イル)-2-メチルプロパ-2-エン-1-イル]プロパンジオアート
  • 1,3-bis(2,2,2-trifluoroethyl) 2-benzyl-2-[(2E)-3-(cyclohex-1-en-1-yl)-2-methylprop-2-en-1-yl]propanedioate
Other name (1)：
  • 2-[(E)-2-Methyl-3-(1-cyclohexenyl)-2-propenyl]-2-benzylmalonic acid bis(2,2,2-trifluoroethyl) ester
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