Chem
J-GLOBAL ID：200907035923549950   Nikkaji number：J2.574.257E

2-Phenyl-4,7-ditert-butyl-1-thioniacyclopenta[cd]azulene

2-フェニル-4,7-ジtert-ブチル-1-チオニアシクロペンタ[cd]アズレン
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： C25H27[S+]
Molecular formula furigana： C25-H27-S
Molecular weight： 359.550
InChI： InChI=1S/C25H27S/c1-24(2,3)17-12-13-18-20(25(4,5)6)15-19-22(18)21(14-17)26-23(19)16-10-8-7-9-11-16/h7-15H,1-6H3/q+1
InChI key： PCKUOUAZLRWRNW-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2c([s+]c3cc(ccc1c23)C(C)(C)C)c1ccccc1
Systematic name  (3)：
  • 2-フェニル-4,7-ジtert-ブチル-1-チオニアシクロペンタ[cd]アズレン
  • 6,10-ジ-tert-ブチル-3-フェニル-2λ4-チアトリシクロ[5.4.1.04,12]ドデカ-1(11),2,4(12),5,7,9-ヘキサエン-2-イリウム
  • 6,10-di-tert-butyl-3-phenyl-2λ4-thiatricyclo[5.4.1.04,12]dodeca-1(11),2,4(12),5,7,9-hexaen-2-ylium
Other name (1)：
  • 2-Phenyl-4,7-ditert-butyl-1-thioniacyclopenta[cd]azulene
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