Tetrasodium 25,26,27,28-Tetrahydroxy-2,8,14,20-Tetrathiapentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-5,11,17,23-Tetrasulfonate
[CAS# 211561-04-5]

Identification

• Classification: Chemical reagent >> Organic reagent >> Sulfonate / sulfinate
• Name: Tetrasodium 25,26,27,28-Tetrahydroxy-2,8,14,20-Tetrathiapentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-5,11,17,23-Tetrasulfonate
• Synonyms: 4-Sulfothiacalix[4]arene Sodium Salt
• Molecular Formula: C₂₄H₁₂Na₄O₁₆S₈
• Molecular Weight: 904.82
• CAS Registry Number: 211561-04-5
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc2Sc5cc(cc(Sc4c(O)c(Sc3c(O)c(Sc(c1)c2O)cc(c3)S([O-])(=O)=O)cc(c4)S([O-])(=O)=O)c5O)S([O-])(=O)=O
• InChI: 1S/C24H16O16S8.4Na/c25-21-13-1-9(45(29,30)31)2-14(21)42-17-5-11(47(35,36)37)6-18(23(17)27)44-20-8-12(48(38,39)40)7-19(24(20)28)43-16-4-10(46(32,33)34)3-15(41-13)22(16)26;;;;/h1-8,25-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4
• InChIKey: LWAHXJLVBWBJLL-UHFFFAOYSA-J

Properties

• Melting point: 390°C (Expl.)
• Refractive index: (Cal.)