Chem
J-GLOBAL ID：200907018432903890   Nikkaji number：J1.083.110E

Bis(3,6-di-tert-butyl-1-azulenyl)(4-methoxyphenyl)methyl cation

ビス(3,6-ジ-tert-ブチルアズレン-1-イル)(4-メトキシフェニル)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： C43[C+]H53O
Molecular formula furigana： C44-H53-O
Molecular weight： 597.906
InChI： InChI=1S/C44H53O/c1-41(2,3)29-16-22-32-34(24-18-29)38(43(7,8)9)26-36(32)40(28-14-20-31(45-13)21-15-28)37-27-39(44(10,11)12)35-25-19-30(42(4,5)6)17-23-33(35)37/h14-27H,1-13H3/q+1
InChI key： HCXCNAIGKPMWFV-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)[C+](c1cc(c2ccc(ccc12)C(C)(C)C)C(C)(C)C)c1cc(c2ccc(ccc12)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • ビス(3,6-ジ-tert-ブチル-1-アズレニル)(4-メトキシフェニル)メチルカチオン
  • ビス(3,6-ジ-tert-ブチルアズレン-1-イル)(4-メトキシフェニル)メチリウム
  • bis(3,6-di-tert-butylazulen-1-yl)(4-methoxyphenyl)methylium
Other name (1)：
  • Bis(3,6-di-tert-butyl-1-azulenyl)(4-methoxyphenyl)methyl cation
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