Chem
J-GLOBAL ID:201007016834549098   Nikkaji number:J2.876.891E

3′′′,4′-Dihexyl-3-methoxy-5,5′′′-dimethyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene

3′′′,4′-ジヘキシル-3-メトキシ-5,5′′′-ジメチル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
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: C31H40OS4
Molecular formula furigana: C31-H40-O-S4
Molecular weight: 556.900
InChI: InChI=1S/C31H40OS4/c1-6-8-10-12-14-23-18-21(3)33-29(23)26-16-17-27(35-26)30-24(15-13-11-9-7-2)20-28(36-30)31-25(32-5)19-22(4)34-31/h16-20H,6-15H2,1-5H3
InChI key: IYKCWQYBCCNKES-UHFFFAOYSA-N
SMILES: CCCCCCc1cc(C)sc1c1ccc(s1)c1sc(cc1CCCCCC)c1sc(C)cc1OC
Systematic name  (4):
  • 5,5′′′-ジメチル-3-メトキシ-3′′′,4′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 3′′′,4′-ジヘキシル-3-メトキシ-5,5′′′-ジメチル-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 4'-ヘキシル-5'-{3'-ヘキシル-5'-メチル-[2,2'-ビチオフェン]-5-イル}-3-メトキシ-5-メチル-2,2'-ビチオフェン
  • 4'-hexyl-5'-{3'-hexyl-5'-methyl-[2,2'-bithiophen]-5-yl}-3-methoxy-5-methyl-2,2'-bithiophene
Other name (2):
  • 5,5′′′-Dimethyl-3-methoxy-3′′′,4′-dihexyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
  • 3′′′,4′-Dihexyl-3-methoxy-5,5′′′-dimethyl-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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