basic_info |
|
| Product_Name： | PENBEROL |
| CAS： | 42241-78-1 |
| EnglishSynonyms： | PENBEROL |
| pro_mdlNumber： | MFCD00869487 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | CCCCCOc1ccc(cc1)C(=O)/C(=C\C(=O)O)/Br |
| InChi： | InChI=1S/C15H17BrO4/c1-2-3-4-9-20-12-7-5-11(6-8-12)15(19)13(16)10-14(17)18/h5-8,10H,2-4,9H2,1H3,(H,17,18)/b13-10+ |
| InChiKey： | InChIKey=KPUGJSNAPAAEJB-JLHYYAGUSA-N |
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