basic_info |
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| Product_Name: | 2-[(E)-2-(1,3-BENZODIOXOL-5-YL)VINYL]-3-BUTYL-1,3-BENZOTHIAZOL-3-IUM IODIDE |
| EnglishSynonyms: | 2-[(E)-2-(1,3-BENZODIOXOL-5-YL)VINYL]-3-BUTYL-1,3-BENZOTHIAZOL-3-IUM IODIDE |
| pro_mdlNumber: | MFCD12033589 |
| pro_acceptors: | 3 |
| pro_donors: | 0 |
| pro_smile: | CCCC[n+]1c2ccccc2sc1/C=C/c3ccc4c(c3)OCO4.[I-] |
| InChi: | InChI=1S/C20H20NO2S.HI/c1-2-3-12-21-16-6-4-5-7-19(16)24-20(21)11-9-15-8-10-17-18(13-15)23-14-22-17;/h4-11,13H,2-3,12,14H2,1H3;1H/q+1;/p-1/b11-9+; |
| InChiKey: | InChIKey=NKRKFVKGPWXQTP-LBEJWNQZSA-M |
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