basic_info |
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Product_Name: | 2,2,2-三氯-1-(4-氯-1H-吡咯-2-基)乙酮 |
CAS: | 146935-35-5 |
中文同义词: | 2,2,2-三氯-1-(4-氯-1H-吡咯-2-基)乙酮 |
EnglishSynonyms: | DACTYLFUNGIN A |
pro_mdlNumber: | MFCD00916662 |
pro_acceptors: | 9 |
pro_donors: | 6 |
pro_smile: | CCC(C)/C=C(\C)/C=C/C=C(\C)/CC(C)CC(C)CC(CO)/C=C(\C)/C=C/C(C(C)(C)c1cc(c(c(=O)o1)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O)O |
InChi: | InChI=1S/C41H64O9/c1-10-25(2)16-26(3)12-11-13-27(4)17-29(6)18-30(7)20-31(23-42)19-28(5)14-15-35(46)41(8,9)36-22-33(44)37(40(48)50-36)39-38(47)34(45)21-32(24-43)49-39/h11-16,19,22,25,29-32,34-35,38-39,42-47H,10,17-18,20-21,23-24H2,1-9H3/b12-11+,15-14+,26-16+,27-13+,28-19+/t25?,29?,30?,31?,32-,34-,35?,38+,39-/m0/s1 |
InChiKey: | InChIKey=RFFNWAQLYUMOFF-CKGFFVAASA-N |
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