Tetraethyl 2,2',2'',2'''-{[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-Tetrayl]Tetrakis(Oxy)}Tetraacetate
[CAS# 210706-03-9]

Identification

• Name: Tetraethyl 2,2',2'',2'''-{[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-Tetrayl]Tetrakis(Oxy)}Tetraacetate
• Synonyms: 4-tert-Butyl-1-(ethoxycarbonylmethoxy)thiacalix[4]arene
• Molecular Formula: C₅₆H₇₂O₁₂S₄
• Molecular Weight: 1065.42
• CAS Registry Number: 210706-03-9
• SMILES: O=C(OCC)COc2c1Sc5c(OCC(=O)OCC)c(Sc4c(OCC(=O)OCC)c(Sc3cc(cc(Sc2cc(c1)C(C)(C)C)c3OCC(=O)OCC)C(C)(C)C)cc(c4)C(C)(C)C)cc(c5)C(C)(C)C
• InChI: 1S/C56H72O12S4/c1-17-61-45(57)29-65-49-37-21-33(53(5,6)7)22-38(49)70-40-24-35(55(11,12)13)26-42(51(40)67-31-47(59)63-19-3)72-44-28-36(56(14,15)16)27-43(52(44)68-32-48(60)64-20-4)71-41-25-34(54(8,9)10)23-39(69-37)50(41)66-30-46(58)62-18-2/h21-28H,17-20,29-32H2,1-16H3
• InChIKey: IGVIIKFHGZNQFL-UHFFFAOYSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 955.382°C at 760 mmHg (Cal.)
• Flash point: 470.779°C (Cal.)
• Refractive index: 1.563 (Cal.)