Chem
J-GLOBAL ID：200907014464022873   Nikkaji number：J1.934.744C

2-[(2E,4E)-5-(4-Methoxyphenyl)-2,4-pentadienyl]-2-[(3E)-3,5-hexadienyl]malonic acid bis(2,2,2-trifluoroethyl) ester

2-[(2E,4E)-5-(4-メトキシフェニル)-2,4-ペンタジエニル]-2-[(3E)-3,5-ヘキサジエニル]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： C25H26F6O5
Molecular formula furigana： C25-H26-F6-O5
Molecular weight： 520.467
InChI： InChI=1S/C25H26F6O5/c1-3-4-5-8-15-23(21(32)35-17-24(26,27)28,22(33)36-18-25(29,30)31)16-9-6-7-10-19-11-13-20(34-2)14-12-19/h3-7,9-14H,1,8,15-18H2,2H3/b5-4+,9-6+,10-7+
InChI key： GPIUEHTZZUZQHO-CQBMMRDZSA-N
SMILES： COc1ccc(/C=C/C=C/CC(CC/C=C/C=C)(C(=O)OCC(F)(F)F)C(=O)OCC(F)(F)F)cc1
Systematic name  (3)：
  • 2-[(2E,4E)-5-(4-メトキシフェニル)-2,4-ペンタジエニル]-2-[(3E)-3,5-ヘキサジエニル]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-[(3E)-ヘキサ-3,5-ジエン-1-イル]-2-[(2E,4E)-5-(4-メトキシフェニル)ペンタ-2,4-ジエン-1-イル]プロパンジオアート
  • 1,3-bis(2,2,2-trifluoroethyl) 2-[(3E)-hexa-3,5-dien-1-yl]-2-[(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-yl]propanedioate
Other name (1)：
  • 2-[(2E,4E)-5-(4-Methoxyphenyl)-2,4-pentadienyl]-2-[(3E)-3,5-hexadienyl]malonic acid bis(2,2,2-trifluoroethyl) ester
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