Chem
J-GLOBAL ID：200907016613954868   Nikkaji number：J1.541.832J

Terephthalic acid bis[2-(3-hexadecyl-4-methylthiazolium-5-yl)ethyl] ester

テレフタル酸ビス[2-(3-ヘキサデシル-4-メチルチアゾリウム-5-イル)エチル]
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： C52H86[N+]2O4S2
Molecular formula furigana： C52-H86-N2-O4-S2
Molecular weight： 867.390
InChI： InChI=1S/C52H86N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-53-43-59-49(45(53)3)37-41-57-51(55)47-33-35-48(36-34-47)52(56)58-42-38-50-46(4)54(44-60-50)40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h33-36,43-44H,5-32,37-42H2,1-4H3/q+2
InChI key： UZOPXTAYMQQDER-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCC[n+]1csc(CCOC(=O)c2ccc(cc2)C(=O)OCCc2sc[n+](CCCCCCCCCCCCCCCC)c2C)c1C
Systematic name  (4)：
  • 5,5′-[(1,4-フェニレン)ビスカルボニルビスオキシビスエチレン]ビス(3-ヘキサデシル-4-メチルチアゾール-3-イウム)
  • テレフタル酸ビス[2-(3-ヘキサデシル-4-メチルチアゾリウム-5-イル)エチル]
  • 3-ヘキサデシル-5-[2-(4-{[2-(3-ヘキサデシル-4-メチル-1,3-チアゾール-3-イウム-5-イル)エトキシ]カルボニル}ベンゾイルオキシ)エチル]-4-メチル-1,3-チアゾール-3-イウム
  • 3-hexadecyl-5-[2-(4-{[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy]carbonyl}benzoyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Other name (2)：
  • 5,5′-[(1,4-Phenylene)biscarbonylbisoxybisethylene]bis(3-hexadecyl-4-methylthiazole-3-ium)
  • Terephthalic acid bis[2-(3-hexadecyl-4-methylthiazolium-5-yl)ethyl] ester
Thsaurus map：
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