Chem
J-GLOBAL ID:200907024084838159   Nikkaji number:J2.050.145F

3,3′′′′′′′-Dihexyl-5′′′′′′′-(tributylstannyl)-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-octithiophene

トリブチル({3-ヘキシル-5'-[5'-(5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-[2,2'-ビチオフェン]-5-イル)-[2,2'-ビチオフェン]-5-イル]-[2,2'-ビチオフェン]-5-イル})スタンナン
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: C56H68S8Sn
Molecular formula furigana: C56-H68-S8-SN
Molecular weight: 1116.350
InChI: InChI=1S/C44H41S8.3C4H9.Sn/c1-3-5-7-9-11-29-25-27-45-43(29)41-23-21-39(51-41)37-19-17-35(49-37)33-15-13-31(47-33)32-14-16-34(48-32)36-18-20-38(50-36)40-22-24-42(52-40)44-30(26-28-46-44)12-10-8-6-4-2;3*1-3-4-2;/h13-27H,3-12H2,1-2H3;3*1,3-4H2,2H3;
InChI key: MPFRDFFQNGYVCH-UHFFFAOYSA-N
SMILES: CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1sc(cc1CCCCCC)[Sn](CCCC)(CCCC)CCCC
Systematic name  (3):
  • 3,3′′′′′′′-ジヘキシル-5′′′′′′′-(トリブチルスタンニル)-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-オクチチオフェン
  • トリブチル({3-ヘキシル-5'-[5'-(5'-{3'-ヘキシル-[2,2'-ビチオフェン]-5-イル}-[2,2'-ビチオフェン]-5-イル)-[2,2'-ビチオフェン]-5-イル]-[2,2'-ビチオフェン]-5-イル})スタンナン
  • tributyl({3-hexyl-5'-[5'-(5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-[2,2'-bithiophen]-5-yl)-[2,2'-bithiophen]-5-yl]-[2,2'-bithiophen]-5-yl})stannane
Other name (1):
  • 3,3′′′′′′′-Dihexyl-5′′′′′′′-(tributylstannyl)-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′:5′′′′′,2′′′′′′:5′′′′′′,2′′′′′′′-octithiophene
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