Chem
J-GLOBAL ID：201807002671703793   Nikkaji number：J3.721.584H

4,4′-[Cyclopentene-1,2-diylbis(2-methylthiophene-3,5-diyl)]bis(benzoic acid hexadecyl) ester

4,4′-[シクロペンテン-1,2-ジイルビス(2-メチルチオフェン-3,5-ジイル)]ビス(安息香酸ヘキサデシル)
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： C61H88O4S2
Molecular formula furigana： C61-H88-O4-S2
Molecular weight： 949.490
InChI： InChI=1S/C61H88O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-64-60(62)52-40-36-50(37-41-52)58-46-56(48(3)66-58)54-34-33-35-55(54)57-47-59(67-49(57)4)51-38-42-53(43-39-51)61(63)65-45-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h36-43,46-47H,5-35,44-45H2,1-4H3
InChI key： RYNDQGAXSDUNTM-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOC(=O)c1ccc(cc1)c1cc(C2=C(CCC2)c2cc(sc2C)c2ccc(cc2)C(=O)OCCCCCCCCCCCCCCCC)c(C)s1
Systematic name  (3)：
  • 4,4′-[シクロペンテン-1,2-ジイルビス(2-メチルチオフェン-3,5-ジイル)]ビス(安息香酸ヘキサデシル)
  • ヘキサデシル 4-{4-[2-(5-{4-[(ヘキサデシルオキシ)カルボニル]フェニル}-2-メチルチオフェン-3-イル)シクロペンタ-1-エン-1-イル]-5-メチルチオフェン-2-イル}ベンゾアート
  • hexadecyl 4-{4-[2-(5-{4-[(hexadecyloxy)carbonyl]phenyl}-2-methylthiophen-3-yl)cyclopent-1-en-1-yl]-5-methylthiophen-2-yl}benzoate
Other name (1)：
  • 4,4′-[Cyclopentene-1,2-diylbis(2-methylthiophene-3,5-diyl)]bis(benzoic acid hexadecyl) ester
Thsaurus map：
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