basic_info |
|
| Product_Name: | OTAVA-FLUOR OTVD_0189 |
| EnglishSynonyms: | OTAVA-FLUOR OTVD_0189 |
| pro_mdlNumber: | MFCD10001151 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | CCCCCCOc1ccc(cc1)N2C(=CC(=Cc3[n+](c4ccccc4s3)C)C=C2C)C.[O-]Cl(=O)(=O)=O |
| InChi: | InChI=1S/C28H33N2OS.ClHO4/c1-5-6-7-10-17-31-25-15-13-24(14-16-25)30-21(2)18-23(19-22(30)3)20-28-29(4)26-11-8-9-12-27(26)32-28;2-1(3,4)5/h8-9,11-16,18-20H,5-7,10,17H2,1-4H3;(H,2,3,4,5)/q+1;/p-1 |
| InChiKey: | InChIKey=VQGZOSQUOJPEKJ-UHFFFAOYSA-M |
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