Chem
J-GLOBAL ID:200907026806738270   Nikkaji number:J809.272I

(E)-1,2-Bis[4-octyl-5-[(E)-2-[3-octyl-5-[(E)-2-(2-thienyl)ethenyl]-2-thienyl]ethenyl]-2-thienyl]ethene

(E)-1,2-ビス[4-オクチル-5-[(E)-2-[3-オクチル-5-[(E)-2-(2-チエニル)エテニル]-2-チエニル]エテニル]-2-チエニル]エテン
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: C66H88S6
Molecular formula furigana: C66-H88-S6
Molecular weight: 1073.790
InChI: InChI=1S/C66H88S6/c1-5-9-13-17-21-25-31-53-49-59(39-37-57-35-29-47-67-57)69-63(53)43-45-65-55(33-27-23-19-15-11-7-3)51-61(71-65)41-42-62-52-56(34-28-24-20-16-12-8-4)66(72-62)46-44-64-54(32-26-22-18-14-10-6-2)50-60(70-64)40-38-58-36-30-48-68-58/h29-30,35-52H,5-28,31-34H2,1-4H3/b39-37+,40-38+,42-41+,45-43+,46-44+
InChI key: QPYVJTFPHMXZAD-VCOLVDQESA-N
SMILES: CCCCCCCCc1cc(/C=C/c2cccs2)sc1/C=C/c1sc(/C=C/c2cc(CCCCCCCC)c(/C=C/c3sc(/C=C/c4cccs4)cc3CCCCCCCC)s2)cc1CCCCCCCC
Systematic name  (3):
  • (E)-1,2-ビス[4-オクチル-5-[(E)-2-[3-オクチル-5-[(E)-2-(2-チエニル)エテニル]-2-チエニル]エテニル]-2-チエニル]エテン
  • 3-オクチル-2-[(1E)-2-{3-オクチル-5-[(1E)-2-{4-オクチル-5-[(1E)-2-{3-オクチル-5-[(1E)-2-(チオフェン-2-イル)エテニル]チオフェン-2-イル}エテニル]チオフェン-2-イル}エテニル]チオフェン-2-イル}エテニル]-5-[(1E)-2-(チオフェン-2-イル)エテニル]チオフェン
  • 3-octyl-2-[(1E)-2-{3-octyl-5-[(1E)-2-{4-octyl-5-[(1E)-2-{3-octyl-5-[(1E)-2-(thiophen-2-yl)ethenyl]thiophen-2-yl}ethenyl]thiophen-2-yl}ethenyl]thiophen-2-yl}ethenyl]-5-[(1E)-2-(thiophen-2-yl)ethenyl]thiophene
Other name (1):
  • (E)-1,2-Bis[4-octyl-5-[(E)-2-[3-octyl-5-[(E)-2-(2-thienyl)ethenyl]-2-thienyl]ethenyl]-2-thienyl]ethene
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