Chem
J-GLOBAL ID：200907046202839444   Nikkaji number：J2.306.470G

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

オクタン二酸ビス[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： C52H94[N+]2O4S2
Molecular formula furigana： C52-H94-N2-O4-S2
Molecular weight： 875.450
InChI： InChI=1S/C52H94N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-53-45-59-49(47(53)3)39-43-57-51(55)37-33-29-30-34-38-52(56)58-44-40-50-48(4)54(46-60-50)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-46H,5-44H2,1-4H3/q+2
InChI key： VJWFTXHKTFBHMB-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCC[n+]1csc(CCOC(=O)CCCCCCC(=O)OCCc2sc[n+](CCCCCCCCCCCCCCCC)c2C)c1C
Systematic name  (3)：
  • オクタン二酸ビス[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-({8-[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]-8-オキソオクタノイル}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-({8-[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy]-8-oxooctanoyl}oxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Other name (1)：
  • Octanedioic acid bis[2-(3-hexadecyl-4-methylthiazolium-5-yl)ethyl] ester
Thsaurus map：
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