basic_info |
|
Product_Name: | OTAVA-FLUOR OTVD_0368 |
EnglishSynonyms: | OTAVA-FLUOR OTVD_0368 |
pro_mdlNumber: | MFCD10001321 |
pro_acceptors: | 2 |
pro_donors: | 0 |
pro_smile: | CCCCCCN(CCCCCC)c1ccc(cc1)/C=C/c2[n+](c(cs2)C)CCCCC.[O-]S(=O)=O |
InChi: | InChI=1S/C29H47N2S.H2O3S/c1-5-8-11-14-22-30(23-15-12-9-6-2)28-19-16-27(17-20-28)18-21-29-31(24-13-10-7-3)26(4)25-32-29;1-4(2)3/h16-21,25H,5-15,22-24H2,1-4H3;4H,(H,1,2,3)/q+1;/p-1 |
InChiKey: | InChIKey=VJBXOYCFFFGSPZ-UHFFFAOYSA-M |
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