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CAS 137407-62-6

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4-SULFOCALIX[8]ARENE

Description:
4-Sulfocalix[8]arene is a synthetic macrocyclic compound belonging to the calixarene family, characterized by its unique structure that consists of eight phenolic units linked by methylene bridges. The presence of a sulfonic acid group (-SO3H) at the para position of one of the phenolic units enhances its solubility in water and contributes to its anionic properties. This compound exhibits a cup-shaped conformation, which allows it to selectively bind cations and small molecules, making it useful in various applications such as ion-selective electrodes, sensors, and drug delivery systems. Its ability to form host-guest complexes is attributed to the hydrophobic cavity formed by the phenolic units, which can encapsulate guest molecules. Additionally, 4-sulfocalix[8]arene has been studied for its potential in environmental applications, such as the removal of heavy metals from aqueous solutions. The compound's versatility and functionalization potential make it a subject of interest in supramolecular chemistry and materials science.
Formula:C56H48O32S8
InChI:InChI=1/C56H48O32S8/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)
SMILES:C1c2cc(cc(Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc1c9O)S(=O)(=O)O)c8O)S(=O)(=O)O)c7O)S(=O)(=O)O)c6O)S(=O)(=O)O)c5O)S(=O)(=O)O)c4O)S(=O)(=O)O)c3O)S(=O)(=O)O)c2O)S(=O)(=O)O
Synonyms:
  • 4-Sulfonic Calix[8]Arene
  • Calix(8)Arene-P-Sulfonic Acid
  • 4-Sulfonic Calix[8]Arene 97%
  • 4-Sulfocalix[8]arene (contains ca. 20% Water)
  • 49,50,51,52,53,54,55,56-Octahydroxynonacyclo[43.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~.1~33,37~.1~39,43~]Hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45,47-Tetracosaene-5,11,17,23,29,35,41,47-Octasulfonic Acid
  • 4-Sulfocalix[8]arene Hydrate
  • 4-SULFOCALIX[8]ARENE
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