basic_info |
|
Product_Name: | OTAVA-FLUOR OTVD_0371 |
EnglishSynonyms: | OTAVA-FLUOR OTVD_0371 |
pro_mdlNumber: | MFCD10001324 |
pro_acceptors: | 2 |
pro_donors: | 0 |
pro_smile: | CC[n+]1c2ccccc2sc1/C=C(\CCC3CCCCC3)/C=C\4/N(c5ccccc5S4)CC.[O-]Cl(=O)(=O)=O |
InChi: | InChI=1S/C29H35N2S2.ClHO4/c1-3-30-24-14-8-10-16-26(24)32-28(30)20-23(19-18-22-12-6-5-7-13-22)21-29-31(4-2)25-15-9-11-17-27(25)33-29;2-1(3,4)5/h8-11,14-17,20-22H,3-7,12-13,18-19H2,1-2H3;(H,2,3,4,5)/q+1;/p-1 |
InChiKey: | InChIKey=JQNZVBKQJGHYOC-UHFFFAOYSA-M |
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