Chem
J-GLOBAL ID：200907089970327160   Nikkaji number：J2.574.249D

2-(3,6-Ditert-butylazulene-1-yl)-4,7-ditert-butyl-5H-1-thiacyclopenta[cd]azulene

2-(3,6-ジtert-ブチルアズレン-1-イル)-4,7-ジtert-ブチル-5H-1-チアシクロペンタ[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： C37H46S
Molecular formula furigana： C37-H46-S
Molecular weight： 522.840
InChI： InChI=1S/C37H46S/c1-34(2,3)22-13-16-24-25(17-14-22)29(36(7,8)9)20-27(24)33-28-21-30(37(10,11)12)26-18-15-23(35(4,5)6)19-31(38-33)32(26)28/h13-17,19-21H,18H2,1-12H3
InChI key： GQWQKXFCNWRFHA-UHFFFAOYSA-N
SMILES： CC(C)(C)C1=Cc2c(sc3=CC(=CCC1=c23)C(C)(C)C)c1cc(c2ccc(ccc12)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 2-(3,6-ジtert-ブチルアズレン-1-イル)-4,7-ジtert-ブチル-5H-1-チアシクロペンタ[cd]アズレン
  • 6,10-ジ-tert-ブチル-3-(3,6-ジ-tert-ブチルアズレン-1-イル)-2-チアトリシクロ[5.4.1.04,12]ドデカ-1(11),3,5,7(12),9-ペンタエン
  • 6,10-di-tert-butyl-3-(3,6-di-tert-butylazulen-1-yl)-2-thiatricyclo[5.4.1.04,12]dodeca-1(11),3,5,7(12),9-pentaene
Other name (1)：
  • 2-(3,6-Ditert-butylazulene-1-yl)-4,7-ditert-butyl-5H-1-thiacyclopenta[cd]azulene
Thsaurus map：
Thesaurus Map

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