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| IUPAC Name: | 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one |
| Description: | 3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone (CAS# 2455-14-3) is an antioxident used in the prevention of aging/rusting in dyes, rubber and textiles. Metabolite of Probucol (P755100) an antilipemic. Probucol USP Related Compound A. |
| Molecular Weight: | 408.62 |
| Molecular Formula: | C28H40O2 |
| Canonical SMILES: | CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C |
| InChI: | InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3 |
| InChI Key: | GQIGHOCYKUBBOE-UHFFFAOYSA-N |
| Boiling Point: | 492.6 °C at 760 mmHg |
| Melting Point: | 73 °C |
| Purity: | > 98.0 % (HPLC) |
| Density: | 1.024 g/cm3 |
| Solubility: | Soluble in Tetrahydrofuran |
| Appearance: | Red to dark blue to black powder to crystal |
| Storage: | Store under inert gas |
| MDL: | MFCD00051798 |
| LogP: | 7.33840 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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