basic_info |
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| Product_Name: | 2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE |
| CAS: | 99099-78-2 |
| EnglishSynonyms: | 2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE |
| pro_mdlNumber: | MFCD06660544 |
| pro_acceptors: | 9 |
| pro_donors: | 3 |
| pro_smile: | Cc1ccc(cc1)S(=O)(=O)OCC(C(C(c2cnn(n2)c3ccccc3)O)O)O |
| InChi: | InChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)29(26,27)28-12-17(23)19(25)18(24)16-11-20-22(21-16)14-5-3-2-4-6-14/h2-11,17-19,23-25H,12H2,1H3 |
| InChiKey: | InChIKey=WHXCEDUFWVSHQA-UHFFFAOYSA-N |
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