basic_info |
|
| Product_Name: | OTAVA-FLUOR OTVD_0191 |
| EnglishSynonyms: | OTAVA-FLUOR OTVD_0191 |
| pro_mdlNumber: | MFCD10001153 |
| pro_acceptors: | 3 |
| pro_donors: | 1 |
| pro_smile: | CC1=CC(=Cc2[n+](c3ccccc3s2)C)C=C(N1CCCCCCO)C.[O-]Cl(=O)(=O)=O |
| InChi: | InChI=1S/C22H29N2OS.ClHO4/c1-17-14-19(15-18(2)24(17)12-8-4-5-9-13-25)16-22-23(3)20-10-6-7-11-21(20)26-22;2-1(3,4)5/h6-7,10-11,14-16,25H,4-5,8-9,12-13H2,1-3H3;(H,2,3,4,5)/q+1;/p-1 |
| InChiKey: | InChIKey=XRSDIOIYYAAVMM-UHFFFAOYSA-M |
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