Chem
J-GLOBAL ID:200907062182284284   Nikkaji number:J2.306.458H

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

こはく酸ビス[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: C48H86[N+]2O4S2
Molecular formula furigana: C48-H86-N2-O4-S2
Molecular weight: 819.340
InChI: InChI=1S/C48H86N2O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-49-41-55-45(43(49)3)35-39-53-47(51)33-34-48(52)54-40-36-46-44(4)50(42-56-46)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3/q+2
InChI key: JZWJXJCYTOXEKF-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCC[n+]1csc(CCOC(=O)CCC(=O)OCCc2sc[n+](CCCCCCCCCCCCCCCC)c2C)c1C
Systematic name  (3):
  • こはく酸ビス[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]-4-オキソブタノイル}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-({4-[2-(3-hexadecyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethoxy]-4-oxobutanoyl}oxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Other name (1):
  • Succinic acid bis[2-(3-hexadecyl-4-methylthiazolium-5-yl)ethyl] ester
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