basic_info |
|
| Product_Name： | OTAVA-FLUOR OTVD_0235 |
| EnglishSynonyms： | OTAVA-FLUOR OTVD_0235 |
| pro_mdlNumber： | MFCD10001196 |
| pro_acceptors： | 2 |
| pro_donors： | 0 |
| pro_smile： | Cc1c[n+](ccc1/C=C\2/N(c3ccccc3S2)C)C.[O-]Cl(=O)(=O)=O |
| InChi： | InChI=1S/C16H17N2S.ClHO4/c1-12-11-17(2)9-8-13(12)10-16-18(3)14-6-4-5-7-15(14)19-16;2-1(3,4)5/h4-11H,1-3H3;(H,2,3,4,5)/q+1;/p-1 |
| InChiKey： | InChIKey=DYGNLCATTZNBCS-UHFFFAOYSA-M |
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