Chem
J-GLOBAL ID：200907051999745656   Nikkaji number：J699.346J

Tris(3,6-di-tert-butylazulen-1-yl)methylium

トリス(3,6-ジ-tert-ブチルアズレン-1-イル)メチリウム
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： C54[C+]H69
Molecular formula furigana： C55-H69
Molecular weight： 730.156
InChI： InChI=1S/C55H69/c1-50(2,3)34-19-25-37-40(28-22-34)46(53(10,11)12)31-43(37)49(44-32-47(54(13,14)15)41-29-23-35(51(4,5)6)20-26-38(41)44)45-33-48(55(16,17)18)42-30-24-36(52(7,8)9)21-27-39(42)45/h19-33H,1-18H3/q+1
InChI key： QERVDIYMSDQGEH-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc([C+](c2cc(c3ccc(ccc23)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)：
  • トリス(3,6-ジ-tert-ブチルアズレン-1-イル)メチリウム
  • トリス(3,6-ジ-tert-ブチル-1-アズレニル)メチルカチオン
  • tris(3,6-di-tert-butylazulen-1-yl)methylium
Other name (2)：
  • Tris(3,6-di-tert-butylazulen-1-yl)methylium
  • Tris(3,6-di-tert-butyl-1-azulenyl)methylcation
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