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| Classification | Chemical reagent >> Organic reagent >> Aromatic hydrocarbon reagent |
|---|---|
| Name | 5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-2,8,14,20-Tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol |
| Synonyms | 4-tert-Butylthiacalix[4]arene |
| Molecular Structure | ![CAS#: 182496-55-5， 5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-2,8,14,20-Tetrathiapentacyclo[19.3.1.1<Sup>3,7</Sup>.1<Sup>9,13</Sup>.1<Sup>15,19</Sup>]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,26,27,28-Tetrol](/moreStructures/182496-55-5.gif) |
| Molecular Formula | C40H48O4S4 |
| Molecular Weight | 721.07 |
| CAS Registry Number | 182496-55-5 |
| SMILES | CC(C)(C)c1cc2c(c(c1)sc3cc(cc(c3O)sc4cc(cc(c4O)sc5cc(cc(c5O)s2)C(C)(C)C)C(C)(C)C)C(C)(C)C)O |
| InChI | 1S/C40H48O4S4/c1-37(2,3)21-13-25-33(41)26(14-21)46-28-16-23(39(7,8)9)18-30(35(28)43)48-32-20-24(40(10,11)12)19-31(36(32)44)47-29-17-22(38(4,5)6)15-27(45-25)34(29)42/h13-20,41-44H,1-12H3 |
| InChIKey | PDEJSTNRUYUEQL-UHFFFAOYSA-N |
| Density | 1.221g/cm3 (Cal.) |
|---|---|
| Boiling point | 735.421°C at 760 mmHg (Cal.) |
| Flash point | 355.631°C (Cal.) |
| Refractive index | 1.638 (Cal.) |