Chem
J-GLOBAL ID：200907058556424592   Nikkaji number：J861.635C

1,2,3,4,9,10,11,12-Octakis(3,3-dimethyl-1-butynyl)-5,6,7,8,13,14,15,16-octadehydrodibenzo[a,g]cyclododecene

1,2,3,4,9,10,11,12-オクタキス(3,3-ジメチル-1-ブチニル)-5,6,7,8,13,14,15,16-オクタデヒドロジベンゾ[a,g]シクロドデセン
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： C68H72
Molecular formula furigana： C68-H72
Molecular weight： 889.324
InChI： InChI=1S/C68H72/c1-61(2,3)41-33-53-49-29-25-26-31-51-52(32-28-27-30-50(49)54(34-42-62(4,5)6)58(38-46-66(16,17)18)57(53)37-45-65(13,14)15)56(36-44-64(10,11)12)60(40-48-68(22,23)24)59(39-47-67(19,20)21)55(51)35-43-63(7,8)9/h1-24H3
InChI key： AGQDRCLYOPNLKG-UHFFFAOYSA-N
SMILES： CC(C)(C)C#Cc1c(C#CC(C)(C)C)c(C#CC(C)(C)C)c2C#CC#Cc3c(C#CC(C)(C)C)c(C#CC(C)(C)C)c(C#CC(C)(C)C)c(C#CC(C)(C)C)c3C#CC#Cc2c1C#CC(C)(C)C
Systematic name  (3)：
  • 1,2,3,4,9,10,11,12-オクタキス(3,3-ジメチル-1-ブチニル)-5,6,7,8,13,14,15,16-オクタデヒドロジベンゾ[a,g]シクロドデセン
  • オクタキス(3,3-ジメチルブタ-1-イン-1-イル)トリシクロ[14.4.0.06,11]イコサ-1(20),6,8,10,16,18-ヘキサエン-2,4,12,14-テトライン
  • octakis(3,3-dimethylbut-1-yn-1-yl)tricyclo[14.4.0.06,11]icosa-1(20),6,8,10,16,18-hexaen-2,4,12,14-tetrayne
Other name (1)：
  • 1,2,3,4,9,10,11,12-Octakis(3,3-dimethyl-1-butynyl)-5,6,7,8,13,14,15,16-octadehydrodibenzo[a,g]cyclododecene
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