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CAS 60711-74-2

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Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)

Description:
Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1), with CAS number 60711-74-2, is a complex organic compound characterized by its unique structural features, including a benzoxazole moiety and long aliphatic chains. This compound typically exhibits amphiphilic properties due to the presence of both hydrophobic (octadecyl) and hydrophilic (sulfonate) groups, which can influence its solubility and behavior in various solvents. It may display interesting optical properties, potentially making it useful in applications such as dyes or fluorescent materials. The presence of the sulfonate group suggests that it could be soluble in polar solvents, while the long hydrocarbon chains may impart surfactant-like characteristics. Additionally, the compound's structure may allow for interactions with biological systems, making it of interest in fields such as medicinal chemistry or materials science. However, specific reactivity, stability, and toxicity profiles would require further investigation through empirical studies.
Formula:C60H92N2O5S
InChI:InChI=1/C53H85N2O2.C7H8O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46-54-48-40-33-35-42-50(48)56-52(54)44-39-45-53-55(49-41-34-36-43-51(49)57-53)47-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h33-36,39-45H,3-32,37-38,46-47H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI key:InChIKey=AGONTKXFFSJLQO-UHFFFAOYSA-M
SMILES:C(CCCCCCCCCCCCCCCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCCCCCCCCCCCCCCC)C=4C(O3)=CC=CC4)=CC=CC2.S(=O)(=O)([O-])C1=CC=C(C)C=C1
Synonyms:
  • Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, 4-methylbenzenesulfonate (1:1)
  • N,N′-Dioctadecyloxacarbocyanine p-toluenesulfonate
  • Benzoxazolium, 3-octadecyl-2-[3-(3-octadecyl-2(3H)-benzoxazolylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Eastman 11808
  • 3,3′-Dioctadecyl-2,2′-oxacarbocyanine p-toluenesulfonate
  • See more synonyms
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