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-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE |
CAS: | 70446-32-1 |
EnglishSynonyms: | 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE ; BENZOTHIAZOLIUM, 3-ETHYL-2-[2-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN-1-YL]ETHENYL]-, IODIDE |
pro_mdlNumber: | MFCD07433793 |
pro_acceptors: | 2 |
pro_donors: | 0 |
pro_smile: | CC[n+]1c2ccccc2sc1/C=C/C3=C(/C(=C/C=C\4/N(c5ccccc5S4)CC)/CC3)c6ccccc6.[I-] |
InChi: | InChI=1S/C33H31N2S2.HI/c1-3-34-27-14-8-10-16-29(27)36-31(34)22-20-25-18-19-26(33(25)24-12-6-5-7-13-24)21-23-32-35(4-2)28-15-9-11-17-30(28)37-32;/h5-17,20-23H,3-4,18-19H2,1-2H3;1H/q+1;/p-1 |
InChiKey: | InChIKey=HKQYMSHXTBOAOL-UHFFFAOYSA-M |
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