49,50,51,52,53,54,55,56-Octahydroxy-,29,35,41,47-Octasulfonic Acid
[CAS# 137407-62-6]

Identification

• Name: 49,50,51,52,53,54,55,56-Octahydroxy-,29,35,41,47-Octasulfonic Acid
• Synonyms: 4-Sulfonic Calix[8]Arene; Gl 2041; Gl 522-Y-1
• Molecular Formula: C₅₆H₄₈O₃₂S₈
• Molecular Weight: 1489.46
• CAS Registry Number: 137407-62-6
• SMILES: C19=CC(=CC(=C1O)CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)[S](=O)(=O)O)CC5=C(C(=CC(=C5)[S](=O)(=O)O)CC6=C(C(=CC(=C6)[S](=O)(=O)O)CC7=C(C(=CC(=C7)[S](=O)(=O)O)CC8=C(C(=CC(=C8)[S](=O)(=O)O)C9)O)O)O)O)O)[S](=O)(=O)O)[S](=O)(=O)O)[S](=O)(=O)O
• InChI: 1S/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)
• InChIKey: KCEGJGDGMRAJEP-UHFFFAOYSA-N

Properties

• Density: 1.786g/cm³ (Cal.)