basic_info |
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| Product_Name: | 5-[1-羟基-2-(2,4,5-三氟苯基)亚乙基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 |
| CAS: | 4248-66-2 |
| 中文同义词: | 5-[1-羟基-2-(2,4,5-三氟苯基)亚乙基]-2,2-二甲基-1,3-二噁烷-4,6-二酮 |
| EnglishSynonyms: | CYANOKETONE |
| pro_mdlNumber: | MFCD01669973 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | CC1(C2=CC[C@H]3[C@@H]4CC[C@]([C@]4(CC[C@@H]3[C@]2(C[C@H](C1=O)C#N)C)C)(C)O)C |
| InChi: | InChI=1S/C23H33NO2/c1-20(2)18-7-6-15-16(21(18,3)12-14(13-24)19(20)25)8-10-22(4)17(15)9-11-23(22,5)26/h7,14-17,26H,6,8-12H2,1-5H3/t14-,15+,16-,17-,21+,22-,23-/m0/s1 |
| InChiKey: | InChIKey=GTBRTGPZZALPNS-MXHVRSFHSA-N |
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