Chem
J-GLOBAL ID:200907098028048823
Nikkaji number:J1.112.036I
4′,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′-quinquethiophene
4′,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′-キンクエチオフェン
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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:
C32 H36 S5
Molecular formula furigana:
C32-H36-S5
Molecular weight:
580.940
InChI:
InChI=1S/C32H36S5/c1-3-5-7-9-13-23-21-29(25-15-11-19-33-25)36-31(23)27-17-18-28(35-27)32-24(14-10-8-6-4-2)22-30(37-32)26-16-12-20-34-26/h11-12,15-22H,3-10,13-14H2,1-2H3
InChI key:
YQFGUPBHWGBYKS-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(sc1c1ccc(s1)c1sc(cc1CCCCCC)c1cccs1)c1cccs1
Systematic name (3):
4′,3′′′-ジヘキシル-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′-キンクエチオフェン
4-ヘキシル-5-(5-{4-ヘキシル-[2,2'-ビチオフェン]-5-イル}チオフェン-2-イル)-2,2'-ビチオフェン
4-hexyl-5-(5-{4-hexyl-[2,2'-bithiophen]-5-yl}thiophen-2-yl)-2,2'-bithiophene
Other name (1):
4′,3′′′-Dihexyl-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′-quinquethiophene
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