basic_info |
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| Product_Name: | 3-((10-CYANO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-TROPANE HYDROGEN FUMARATE |
| CAS: | 27719-95-5 |
| EnglishSynonyms: | 3-((10-CYANO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)OXY)-TROPANE HYDROGEN FUMARATE |
| pro_mdlNumber: | MFCD01731152 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | CN1[C@@H]2CC[C@H]1CC(C2)OC3c4ccccc4C=C(c5c3cccc5)C#N.C(=C/C(=O)O)\C(=O)O |
| InChi: | InChI=1S/C24H24N2O.C4H4O4/c1-26-18-10-11-19(26)14-20(13-18)27-24-22-8-3-2-6-16(22)12-17(15-25)21-7-4-5-9-23(21)24;5-3(6)1-2-4(7)8/h2-9,12,18-20,24H,10-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,19+,20?,24?; |
| InChiKey: | InChIKey=UELSOHKTRVMRBP-MOIFKLIGSA-N |
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