5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-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-25,26,27,28-Tetrol 2,2,8,8,14,14 ,20,20-Octaoxide
[CAS# 204190-49-8]

Identification

• Name: 5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-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-25,26,27,28-Tetrol 2,2,8,8,14,14 ,20,20-Octaoxide
• Synonyms: 4-tert-Butylsulfonylcalix[4]arene
• Molecular Formula: C₄₀H₄₈O₁₂S₄
• Molecular Weight: 849.06
• CAS Registry Number: 204190-49-8
• SMILES: O=S5(=O)c1cc(cc(c1O)S(=O)(=O)c2c(O)c(cc(c2)C(C)(C)C)S(=O)(=O)c3c(O)c(cc(c3)C(C)(C)C)S(=O)(=O)c4cc(cc5c4O)C(C)(C)C)C(C)(C)C
• InChI: 1S/C40H48O12S4/c1-37(2,3)21-13-25-33(41)26(14-21)54(47,48)28-16-23(39(7,8)9)18-30(35(28)43)56(51,52)32-20-24(40(10,11)12)19-31(36(32)44)55(49,50)29-17-22(38(4,5)6)15-27(34(29)42)53(25,45)46/h13-20,41-44H,1-12H3
• InChIKey: BOLKLFFOYGXSKT-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 984.468°C at 760 mmHg (Cal.)
• Flash point: 549.187°C (Cal.)
• Refractive index: 1.609 (Cal.)