basic_info |
|
| Product_Name： | 沙替格雷 |
| CAS： | 111753-73-2 |
| 中文同义词： | 沙替格雷 |
| EnglishSynonyms： | SATIGREL |
| pro_mdlNumber： | MFCD00867837 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | COc1ccc(cc1)C(=C(CCC(=O)O)C#N)c2ccc(cc2)OC |
| InChi： | InChI=1S/C20H19NO4/c1-24-17-8-3-14(4-9-17)20(16(13-21)7-12-19(22)23)15-5-10-18(25-2)11-6-15/h3-6,8-11H,7,12H2,1-2H3,(H,22,23) |
| InChiKey： | InChIKey=GRVCTHTXJDYIHB-UHFFFAOYSA-N |
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