basic_info |
|
| Product_Name： | OCTIMIBATE |
| CAS： | 89838-96-0 |
| EnglishSynonyms： | OCTIMIBATE |
| pro_mdlNumber： | MFCD00865762 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | c1ccc(cc1)c2c(n(c(n2)OCCCCCCCC(=O)O)c3ccccc3)c4ccccc4 |
| InChi： | InChI=1S/C29H30N2O3/c32-26(33)21-13-2-1-3-14-22-34-29-30-27(23-15-7-4-8-16-23)28(24-17-9-5-10-18-24)31(29)25-19-11-6-12-20-25/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33) |
| InChiKey： | InChIKey=JJNUVQIGQRFZAC-UHFFFAOYSA-N |
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