Chem
J-GLOBAL ID：200907079945030017   Nikkaji number：J848.959I

2,6-Di-tert-butyl-4-[bis(3,6-di-tert-butylazulen-1-yl)methylene]-2,5-cyclohexadien-1-one

2,6-ジ-tert-ブチル-4-[ビス(3,6-ジ-tert-ブチルアズレン-1-イル)メチレン]-2,5-シクロヘキサジエン-1-オン
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： C51H66O
Molecular formula furigana： C51-H66-O
Molecular weight： 695.088
InChI： InChI=1S/C51H66O/c1-46(2,3)32-19-23-34-36(25-21-32)40(48(7,8)9)29-38(34)44(31-27-42(50(13,14)15)45(52)43(28-31)51(16,17)18)39-30-41(49(10,11)12)37-26-22-33(47(4,5)6)20-24-35(37)39/h19-30H,1-18H3
InChI key： RQLIAHNVRGALLM-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)c2cc(c3ccc(ccc23)C(C)(C)C)C(C)(C)C)c2ccc(ccc12)C(C)(C)C
Systematic name  (3)：
  • 2,6-ジ-tert-ブチル-4-[ビス(3,6-ジ-tert-ブチルアズレン-1-イル)メチレン]-2,5-シクロヘキサジエン-1-オン
  • 4-[ビス(3,6-ジ-tert-ブチルアズレン-1-イル)メチリデン]-2,6-ジ-tert-ブチルシクロヘキサ-2,5-ジエン-1-オン
  • 4-[bis(3,6-di-tert-butylazulen-1-yl)methylidene]-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
Other name (1)：
  • 2,6-Di-tert-butyl-4-[bis(3,6-di-tert-butylazulen-1-yl)methylene]-2,5-cyclohexadien-1-one
Thsaurus map：
Thesaurus Map

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