basic_info |
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| Product_Name: | 6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE |
| CAS: | 54945-27-6 |
| EnglishSynonyms: | 6,9-DIOXA-3,12,18-TRIAZABICYCLO[12.3.1]OCTADECA-1(18)14,16-TRIENE-2,13-DIONE |
| pro_mdlNumber: | MFCD03411801 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | c1cc2nc(c1)C(=O)NCCOCCOCCNC2=O |
| InChi: | InChI=1S/C13H17N3O4/c17-12-10-2-1-3-11(16-10)13(18)15-5-7-20-9-8-19-6-4-14-12/h1-3H,4-9H2,(H,14,17)(H,15,18) |
| InChiKey: | InChIKey=AHXQSQFHXUVYPY-UHFFFAOYSA-N |
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