3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

pro_cas
70446-31-0
pro_cdbregno
CCD00594464
pro_formula
C28 H29 N2 S2 . I
pro_molWeight
584.583

basic_info

Product_Name: 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS: 70446-31-0
EnglishSynonyms: 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
pro_mdlNumber: MFCD07433794
pro_acceptors: 2
pro_donors: 0
pro_smile: CC[n+]1c2ccccc2sc1/C=C/C3=C(/C(=C/C=C\4/N(c5ccccc5S4)CC)/CC3)C.[I-]
InChi: InChI=1S/C28H29N2S2.HI/c1-4-29-23-10-6-8-12-25(23)31-27(29)18-16-21-14-15-22(20(21)3)17-19-28-30(5-2)24-11-7-9-13-26(24)32-28;/h6-13,16-19H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
InChiKey: InChIKey=NVJNVWJVFOKKJO-UHFFFAOYSA-M

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