basic_info |
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Product_Name: | OTAVA-FLUOR OTVD_0370 |
EnglishSynonyms: | OTAVA-FLUOR OTVD_0370 |
pro_mdlNumber: | MFCD10001323 |
pro_acceptors: | 1 |
pro_donors: | 0 |
pro_smile: | CC[n+]1c(csc1/C=C/c2ccc(c(c2)Br)C)c3ccccc3.CO.[O-]Cl(=O)(=O)=O |
InChi: | InChI=1S/C20H19BrNS.CH4O.ClHO4/c1-3-22-19(17-7-5-4-6-8-17)14-23-20(22)12-11-16-10-9-15(2)18(21)13-16;1-2;2-1(3,4)5/h4-14H,3H2,1-2H3;2H,1H3;(H,2,3,4,5)/q+1;;/p-1/b12-11+;; |
InChiKey: | InChIKey=SGIXHNRYXWTKKQ-YHPRVSEPSA-M |
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