basic_info |
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| Product_Name： | 4,5-异噻唑二酮,3-甲基-,4-[2-(2-氟苯基)腙] |
| CAS： | 3150-34-3 |
| 中文同义词： | 4,5-异噻唑二酮,3-甲基-,4-[2-(2-氟苯基)腙] |
| EnglishSynonyms： | CPCP |
| pro_mdlNumber： | MFCD00672238 |
| pro_acceptors： | 21 |
| pro_donors： | 8 |
| pro_smile： | c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4ccc(nc4=O)N)OP(=O)(O)O)O)O |
| InChi： | InChI=1S/C18H26N6O15P2/c19-9-1-3-23(17(28)21-9)15-12(27)13(7(5-25)36-15)39-41(33,34)35-6-8-11(26)14(38-40(30,31)32)16(37-8)24-4-2-10(20)22-18(24)29/h1-4,7-8,11-16,25-27H,5-6H2,(H,33,34)(H2,19,21,28)(H2,20,22,29)(H2,30,31,32)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 |
| InChiKey： | InChIKey=PUBKZVYGQRWSLO-NCOIDOBVSA-N |
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English![4,5-异噻唑二酮,3-甲基-,4-[2-(2-氟苯基)腙]](http://www.chemcd.com/createImage?smile=c1cn%28c%28%3DO%29nc1N%29%5BC%40H%5D2%5BC%40%40H%5D%28%5BC%40%40H%5D%28%5BC%40H%5D%28O2%29CO%29OP%28%3DO%29%28O%29OC%5BC%40%40H%5D3%5BC%40H%5D%28%5BC%40H%5D%28%5BC%40%40H%5D%28O3%29n4ccc%28nc4%3DO%29N%29OP%28%3DO%29%28O%29O%29O%29O&size=web.jpg)