Chem
J-GLOBAL ID：200907031765579433
Nikkaji number：J2.213.321G
5,5′′′′′-Bis[1-(2-butylheptanoyloxy)propyl]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene
5,5′′′′′-ビス[1-(2-ブチルヘプタノイルオキシ)プロピル]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
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
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
Molecular formula： C52H66O4S6
Molecular formula furigana： C52-H66-O4-S6
Molecular weight： 947.460
InChI：
InChI=1S/C52H66O4S6/c1-7-13-17-21-35(19-15-9-3)51(53)55-37(11-5)39-23-25-41(57-39)43-27-29-45(59-43)47-31-33-49(61-47)50-34-32-48(62-50)46-30-28-44(60-46)42-26-24-40(58-42)38(12-6)56-52(54)36(20-16-10-4)22-18-14-8-2/h23-38H,7-22H2,1-6H3
InChI key：
FGUOYQXUBCSGMJ-UHFFFAOYSA-N
SMILES：
CCCCCC(CCCC)C(=O)OC(CC)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C(CC)OC(=O)C(CCCC)CCCCC
Systematic name (3)：
- 5,5′′′′′-ビス[1-(2-ブチルヘプタノイルオキシ)プロピル]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-セキシチオフェン
- 1-{5'-[5'-(5'-{1-[(2-ブチルヘプタノイル)オキシ]プロピル}-[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}プロピル 2-ブチルヘプタノアート
- 1-{5'-[5'-(5'-{1-[(2-butylheptanoyl)oxy]propyl}-[2,2'-bithiophen]-5-yl)-[2,2'-bithiophen]-5-yl]-[2,2'-bithiophen]-5-yl}propyl 2-butylheptanoate
- 5,5′′′′′-Bis[1-(2-butylheptanoyloxy)propyl]-2,2′:5′,2′′:5′′,2′′′:5′′′,2′′′′:5′′′′,2′′′′′-sexithiophene
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