basic_info |
|
| Product_Name： | OTAVA-FLUOR OTVD_0253 |
| EnglishSynonyms： | OTAVA-FLUOR OTVD_0253 |
| pro_mdlNumber： | MFCD10001213 |
| pro_acceptors： | 4 |
| pro_donors： | 0 |
| pro_smile： | C[n+]1c2cc3c(cc2sc1C=C4C=CN(C=C4)C)OCO3.COS(=O)(=O)[O-] |
| InChi： | InChI=1S/C16H15N2O2S.CH4O4S/c1-17-5-3-11(4-6-17)7-16-18(2)12-8-13-14(20-10-19-13)9-15(12)21-16;1-5-6(2,3)4/h3-9H,10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1 |
| InChiKey： | InChIKey=DGLFLWRFDNKRJJ-UHFFFAOYSA-M |
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