basic_info |
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| Product_Name: | 7-IODO-5,11-DIOXOTRIAZADIBENZO[A,D]CYCLOHEPTENE-2-CARBOXYLIC ACID T-BUTYL ESTER |
| EnglishSynonyms: | 7-IODO-5,11-DIOXOTRIAZADIBENZO[A,D]CYCLOHEPTENE-2-CARBOXYLIC ACID T-BUTYL ESTER |
| pro_mdlNumber: | MFCD08689578 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C)OC(=O)N1CCN2C(C1)C(=O)Nc3ccc(cc3C2=O)I |
| InChi: | InChI=1S/C17H20IN3O4/c1-17(2,3)25-16(24)20-6-7-21-13(9-20)14(22)19-12-5-4-10(18)8-11(12)15(21)23/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,22) |
| InChiKey: | InChIKey=KBRJRELDFOYWBA-UHFFFAOYSA-N |
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