basic_info |
|
| Product_Name: | 3-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)TROPANE DIMETHYLSULFATE |
| CAS: | 27574-20-5 |
| EnglishSynonyms: | 3-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)TROPANE DIMETHYLSULFATE |
| pro_mdlNumber: | MFCD01757352 |
| pro_acceptors: | 1 |
| pro_donors: | 0 |
| pro_smile: | C[N+]1([C@H]2CC[C@@H]1CC(=C3c4ccccc4C=Cc5c3cccc5)C2)C.COS(=O)(=O)[O-] |
| InChi: | InChI=1S/C24H26N.CH4O4S/c1-25(2)20-13-14-21(25)16-19(15-20)24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24;1-5-6(2,3)4/h3-12,20-21H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t20-,21+; |
| InChiKey: | InChIKey=YLRSPFWCPMRUDA-XKFLBXONSA-M |
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