basic_info |
|
| Product_Name: | BOC-THIONOSER(TBU)-1-(6-NITRO)BENZOTRIAZOLIDE |
| EnglishSynonyms: | BOC-THIONOSER(TBU)-1-(6-NITRO)BENZOTRIAZOLIDE |
| pro_mdlNumber: | MFCD16294348 |
| pro_acceptors: | 10 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C)OC[C@@H](C(=S)n1c2cc(ccc2nn1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChi: | InChI=1S/C18H25N5O5S/c1-17(2,3)27-10-13(19-16(24)28-18(4,5)6)15(29)22-14-9-11(23(25)26)7-8-12(14)20-21-22/h7-9,13H,10H2,1-6H3,(H,19,24)/t13-/m0/s1 |
| InChiKey: | InChIKey=BRJMISZMLFJMGN-ZDUSSCGKSA-N |
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