Chem
J-GLOBAL ID：200907023079285676   Nikkaji number：J1.468.247C

3-[4-[(3,5-Ditert-butyl-4-oxo-2,5-cyclohexadienylidene)(3,5-ditert-butyl-4-acetoxyphenyl)methyl]phenyl]thiophene

酢酸2,6-ジ-tert-ブチル-4-[α-[3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン]-4-(3-チエニル)ベンジル]フェニル
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： C41H50O3S
Molecular formula furigana： C41-H50-O3-S
Molecular weight： 622.910
InChI： InChI=1S/C41H50O3S/c1-25(42)44-37-33(40(8,9)10)22-30(23-34(37)41(11,12)13)35(27-16-14-26(15-17-27)28-18-19-45-24-28)29-20-31(38(2,3)4)36(43)32(21-29)39(5,6)7/h14-24H,1-13H3
InChI key： AGIZMFJQVFQTRQ-UHFFFAOYSA-N
SMILES： CC(=O)Oc1c(cc(cc1C(C)(C)C)/C(=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)/c1ccc(cc1)c1ccsc1)C(C)(C)C
Systematic name  (6)：
  • 酢酸2,6-ジ-tert-ブチル-4-[α-[3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン]-4-(3-チエニル)ベンジル]フェニル
  • 2,6-ジ-tert-ブチル-4-[[4-(3-チエニル)フェニル](3,5-ジ-tert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)メチル]フェノールアセタート
  • 4-[[4-(3-チエニル)フェニル](3,5-ジ-tert-ブチル-4-アセトキシフェニル)メチレン]-2,6-ジ-tert-ブチル-2,5-シクロヘキサジエン-1-オン
  • 3-[4-[(3,5-ジtert-ブチル-4-オキソ-2,5-シクロヘキサジエニリデン)(3,5-ジtert-ブチル-4-アセトキシフェニル)メチル]フェニル]チオフェン
  • 2,6-ジ-tert-ブチル-4-[(3,5-ジ-tert-ブチル-4-オキソシクロヘキサ-2,5-ジエン-1-イリデン)[4-(チオフェン-3-イル)フェニル]メチル]フェニル アセタート
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Other name (4)：
  • Acetic acid 2,6-di-tert-butyl-4-[α-[3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene]-4-(3-thienyl)benzyl]phenyl ester
  • 2,6-Di-tert-butyl-4-[[4-(3-thienyl)phenyl](3,5-di-tert-butyl-4-oxo-2,5-cyclohexadienylidene)methyl]phenol acetate
  • 4-[[4-(3-Thienyl)phenyl](3,5-di-tert-butyl-4-acetoxyphenyl)methylene]-2,6-di-tert-butyl-2,5-cyclohexadiene-1-one
  • 3-[4-[(3,5-Ditert-butyl-4-oxo-2,5-cyclohexadienylidene)(3,5-ditert-butyl-4-acetoxyphenyl)methyl]phenyl]thiophene
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