Chem
J-GLOBAL ID:200907084944972675   Nikkaji number:J2.306.476F

Decanedioic acid bis[2-(3-dodecyl-4-methylthiazolium-5-yl)ethyl] ester

デカン二酸ビス[2-(3-ドデシル-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: C46H82[N+]2O4S2
Molecular formula furigana: C46-H82-N2-O4-S2
Molecular weight: 791.290
InChI: InChI=1S/C46H82N2O4S2/c1-5-7-9-11-13-15-17-21-25-29-35-47-39-53-43(41(47)3)33-37-51-45(49)31-27-23-19-20-24-28-32-46(50)52-38-34-44-42(4)48(40-54-44)36-30-26-22-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3/q+2
InChI key: KCRHTDYJIQQERJ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC[n+]1csc(CCOC(=O)CCCCCCCCC(=O)OCCc2sc[n+](CCCCCCCCCCCC)c2C)c1C
Systematic name  (3):
  • デカン二酸ビス[2-(3-ドデシル-4-メチルチアゾリウム-5-イル)エチル]
  • 3-ドデシル-5-[2-({10-[2-(3-ドデシル-4-メチル-1,3-チアゾール-3-イウム-5-イル)エトキシ]-10-オキソデカノイル}オキシ)エチル]-4-メチル-1,3-チアゾール-3-イウム
  • 3-dodecyl-5-[2-({10-[2-(3-dodecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy]-10-oxodecanoyl}oxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Other name (1):
  • Decanedioic acid bis[2-(3-dodecyl-4-methylthiazolium-5-yl)ethyl] ester
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