Chem
J-GLOBAL ID：201107043656386575   Nikkaji number：J2.900.799C

5,5′′′-Di(1,3-cyclopentadienyl)-3-hexyl-3′′′,4′-dimethoxy-2,2′:5′,2′′:5′′,2′′′-quaterthiophene

5,5′′′-ジ(1,3-シクロペンタジエニル)-3-ヘキシル-3′′′,4′-ジメトキシ-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： C34H34O2S4
Molecular formula furigana： C34-H34-O2-S4
Molecular weight： 602.880
InChI： InChI=1S/C34H34O2S4/c1-4-5-6-7-16-24-19-29(22-12-8-9-13-22)38-32(24)31-21-26(36-3)34(40-31)28-18-17-27(37-28)33-25(35-2)20-30(39-33)23-14-10-11-15-23/h8-12,14,17-21H,4-7,13,15-16H2,1-3H3
InChI key： WGCDRMFQFJZJHE-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(sc1c1cc(OC)c(s1)c1ccc(s1)c1sc(cc1OC)C1=CC=CC1)C1=CC=CC1
Systematic name  (3)：
  • 5,5′′′-ジ(1,3-シクロペンタジエニル)-3-ヘキシル-3′′′,4′-ジメトキシ-2,2′:5′,2′′:5′′,2′′′-クアテルチオフェン
  • 5-(シクロペンタ-1,3-ジエン-1-イル)-5'-[5'-(シクロペンタ-1,3-ジエン-1-イル)-3'-メトキシ-[2,2'-ビチオフェン]-5-イル]-3-ヘキシル-4'-メトキシ-2,2'-ビチオフェン
  • 5-(cyclopenta-1,3-dien-1-yl)-5'-[5'-(cyclopenta-1,3-dien-1-yl)-3'-methoxy-[2,2'-bithiophen]-5-yl]-3-hexyl-4'-methoxy-2,2'-bithiophene
Other name (1)：
  • 5,5′′′-Di(1,3-cyclopentadienyl)-3-hexyl-3′′′,4′-dimethoxy-2,2′:5′,2′′:5′′,2′′′-quaterthiophene
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