Chem
J-GLOBAL ID:200907027638932968   Nikkaji number:J1.133.268D

1,2-Bis[3,4-bis(pentyloxy)-5-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methyl]-2-thienyl]ethene

1,2-ビス[3,4-ビス(ペンチルオキシ)-5-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチル]-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: C42H60O4S10
Molecular formula furigana: C42-H60-O4-S10
Molecular weight: 949.540
InChI: InChI=1S/C42H60O4S10/c1-9-13-17-23-43-35-29(51-31(37(35)45-25-19-15-11-3)27-33-53-39(47-5)40(48-6)54-33)21-22-30-36(44-24-18-14-10-2)38(46-26-20-16-12-4)32(52-30)28-34-55-41(49-7)42(50-8)56-34/h21-22,27-28H,9-20,23-26H2,1-8H3
InChI key: PDWCGLQSPNWPOY-UHFFFAOYSA-N
SMILES: CCCCCOc1c(OCCCCC)c(/C=C/2\SC(=C(SC)S2)SC)sc1C=Cc1sc(/C=C\2/SC(=C(SC)S2)SC)c(OCCCCC)c1OCCCCC
Systematic name  (3):
  • 1,2-ビス[3,4-ビス(ペンチルオキシ)-5-[[4,5-ビス(メチルチオ)-1,3-ジチオール-2-イリデン]メチル]-2-チエニル]エテン
  • 2-({5-[2-(5-{[4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール-2-イリデン]メチル}-3,4-ビス(ペンチルオキシ)チオフェン-2-イル)エテニル]-3,4-ビス(ペンチルオキシ)チオフェン-2-イル}メチリデン)-4,5-ビス(メチルスルファニル)-2H-1,3-ジチオール
  • 2-({5-[2-(5-{[4,5-bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]methyl}-3,4-bis(pentyloxy)thiophen-2-yl)ethenyl]-3,4-bis(pentyloxy)thiophen-2-yl}methylidene)-4,5-bis(methylsulfanyl)-2H-1,3-dithiole
Other name (1):
  • 1,2-Bis[3,4-bis(pentyloxy)-5-[[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]methyl]-2-thienyl]ethene
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