basic_info |
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| Product_Name: | 3-ETHYL-2-((E)-2-[3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-(ETHYLSULFANYL)-1-CYCLOHEXEN-1-YL]ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE |
| CAS: | 70446-13-8 |
| EnglishSynonyms: | 3-ETHYL-2-((E)-2-[3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-(ETHYLSULFANYL)-1-CYCLOHEXEN-1-YL]ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE |
| pro_mdlNumber: | MFCD07433808 |
| pro_acceptors: | 2 |
| pro_donors: | 0 |
| pro_smile: | CC[n+]1c2ccccc2sc1/C=C/C3=C(/C(=C/C=C\4/N(c5ccccc5S4)CC)/CCC3)SCC.[I-] |
| InChi: | InChI=1S/C30H33N2S3.HI/c1-4-31-24-14-7-9-16-26(24)34-28(31)20-18-22-12-11-13-23(30(22)33-6-3)19-21-29-32(5-2)25-15-8-10-17-27(25)35-29;/h7-10,14-21H,4-6,11-13H2,1-3H3;1H/q+1;/p-1 |
| InChiKey: | InChIKey=FXKJZUPHHJPSIZ-UHFFFAOYSA-M |
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