Chem
J-GLOBAL ID：202007007258362082   Nikkaji number：J3.749.187J

2,6-ジtert-ブチル-4-(5H-ジベンゾ[a,d]シクロヘプテン-5-イリデン)-2,5-シクロヘキサジエン-1-オン

2,6-ジtert-ブチル-4-(5H-ジベンゾ[a,d]シクロヘプテン-5-イリデン)-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： C29H30O
Molecular formula furigana： C29-H30-O
Molecular weight： 394.558
InChI： InChI=1S/C29H30O/c1-28(2,3)24-17-21(18-25(27(24)30)29(4,5)6)26-22-13-9-7-11-19(22)15-16-20-12-8-10-14-23(20)26/h7-18H,1-6H3
InChI key： SJPQRVQBKRCNMT-UHFFFAOYSA-N
SMILES： C1(=O)C(=C/C(=C/2\c3c(C=Cc4c2cccc4)cccc3)/C=C1C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2,6-ジtert-ブチル-4-(5H-ジベンゾ[a,d]シクロヘプテン-5-イリデン)-2,5-シクロヘキサジエン-1-オン
  • 2,6-ジ-tert-ブチル-4-{トリシクロ[9.4.0.03,8]ペンタデカ-1(11),3,5,7,9,12,14-ヘプタエン-2-イリデン}シクロヘキサ-2,5-ジエン-1-オン
  • 2,6-di-tert-butyl-4-{tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene}cyclohexa-2,5-dien-1-one
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