basic_info |
|
| Product_Name： | 三壬基苯酚 |
| CAS： | 81907-78-0 |
| 中文同义词： | 三壬基苯酚 |
| EnglishSynonyms： | BATEBULAST |
| pro_mdlNumber： | MFCD00864632 |
| pro_acceptors： | 5 |
| pro_donors： | 3 |
| pro_smile： | CC(C)(C)c1ccc(cc1)OC(=O)[C@H]2CC[C@@H](CC2)CNC(=N)N |
| InChi： | InChI=1S/C19H29N3O2/c1-19(2,3)15-8-10-16(11-9-15)24-17(23)14-6-4-13(5-7-14)12-22-18(20)21/h8-11,13-14H,4-7,12H2,1-3H3,(H4,20,21,22)/t13-,14- |
| InChiKey： | InChIKey=HXLJIJAWKVNQNT-HDJSIYSDSA-N |
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