Chem
J-GLOBAL ID：200907087024696969   Nikkaji number：J2.306.460J

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

デカン二酸ビス[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： C54H98[N+]2O4S2
Molecular formula furigana： C54-H98-N2-O4-S2
Molecular weight： 903.510
InChI： InChI=1S/C54H98N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-43-55-47-61-51(49(55)3)41-45-59-53(57)39-35-31-27-28-32-36-40-54(58)60-46-42-52-50(4)56(48-62-52)44-38-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/q+2
InChI key： UUYIBZDHCNQYMX-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCC[n+]1csc(CCOC(=O)CCCCCCCCC(=O)OCCc2sc[n+](CCCCCCCCCCCCCCCC)c2C)c1C
Systematic name  (3)：
  • デカン二酸ビス[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-({10-[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]-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-hexadecyl-5-[2-({10-[2-(3-hexadecyl-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-hexadecyl-4-methylthiazolium-5-yl)ethyl] ester
Thsaurus map：
Thesaurus Map

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