Chem
J-GLOBAL ID：200907069355862127   Nikkaji number：J930.714A

5,5′-[5-Bromo-3,1-phenylenebis(1,2-ethenediyl)]bis(1,3-di-tert-butylbenzene)

5,5′-[5-ブロモ-3,1-フェニレンビス(1,2-エテンジイル)]ビス(1,3-ジ-tert-ブチルベンゼン)
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： C38H49Br
Molecular formula furigana： C38-H49-BR
Molecular weight： 585.714
InChI： InChI=1S/C38H49Br/c1-35(2,3)30-18-28(19-31(24-30)36(4,5)6)15-13-26-17-27(23-34(39)22-26)14-16-29-20-32(37(7,8)9)25-33(21-29)38(10,11)12/h13-25H,1-12H3
InChI key： DQKXFZLUFRPWKL-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(C=Cc2cc(Br)cc(C=Cc3cc(cc(c3)C(C)(C)C)C(C)(C)C)c2)cc(c1)C(C)(C)C
Systematic name  (3)：
  • 5,5′-[5-ブロモ-3,1-フェニレンビス(1,2-エテンジイル)]ビス(1,3-ジ-tert-ブチルベンゼン)
  • 1-(2-{3-ブロモ-5-[2-(3,5-ジ-tert-ブチルフェニル)エテニル]フェニル}エテニル)-3,5-ジ-tert-ブチルベンゼン
  • 1-(2-{3-bromo-5-[2-(3,5-di-tert-butylphenyl)ethenyl]phenyl}ethenyl)-3,5-di-tert-butylbenzene
Other name (1)：
  • 5,5′-[5-Bromo-3,1-phenylenebis(1,2-ethenediyl)]bis(1,3-di-tert-butylbenzene)
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