Chem
J-GLOBAL ID：200907077857474743   Nikkaji number：J1.541.823K

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

テレフタル酸ビス[2-(3-オクチル-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： C36H54[N+]2O4S2
Molecular formula furigana： C36-H54-N2-O4-S2
Molecular weight： 642.960
InChI： InChI=1S/C36H54N2O4S2/c1-5-7-9-11-13-15-23-37-27-43-33(29(37)3)21-25-41-35(39)31-17-19-32(20-18-31)36(40)42-26-22-34-30(4)38(28-44-34)24-16-14-12-10-8-6-2/h17-20,27-28H,5-16,21-26H2,1-4H3/q+2
InChI key： DNAXHLWZVLMNKU-UHFFFAOYSA-N
SMILES： CCCCCCCC[n+]1csc(CCOC(=O)c2ccc(cc2)C(=O)OCCc2sc[n+](CCCCCCCC)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-オクチル-4-メチルチアゾール-3-イウム)
  • テレフタル酸ビス[2-(3-オクチル-4-メチルチアゾリウム-5-イル)エチル]
  • 4-メチル-5-[2-(4-{[2-(4-メチル-3-オクチル-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]-3-オクチル-1,3-チアゾール-3-イウム
  • 4-methyl-5-[2-(4-{[2-(4-methyl-3-octyl-1,3-thiazol-3-ium-5-yl)ethoxy]carbonyl}benzoyloxy)ethyl]-3-octyl-1,3-thiazol-3-ium
Other name (2)：
  • 5,5′-[(1,4-Phenylene)biscarbonylbisoxybisethylene]bis(3-octyl-4-methylthiazole-3-ium)
  • Terephthalic acid bis[2-(3-octyl-4-methylthiazolium-5-yl)ethyl] ester
Thsaurus map：
Thesaurus Map

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