3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

pro_cas
70677-52-0
pro_cdbregno
CCD00594474
pro_formula
C29 H33 N2 S2 . I
pro_molWeight
600.626

basic_info

Product_Name: 3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS: 70677-52-0
EnglishSynonyms: 3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
pro_mdlNumber: MFCD07433820
pro_acceptors: 2
pro_donors: 0
pro_smile: CC[n+]1c2ccccc2sc1/C=C/3\CC(CC(=C3C)/C=C\4/N(c5ccccc5S4)CC)(C)C.[I-]
InChi: InChI=1S/C29H33N2S2.HI/c1-6-30-23-12-8-10-14-25(23)32-27(30)16-21-18-29(4,5)19-22(20(21)3)17-28-31(7-2)24-13-9-11-15-26(24)33-28;/h8-17H,6-7,18-19H2,1-5H3;1H/q+1;/p-1
InChiKey: InChIKey=WYEOWHRDKALYRZ-UHFFFAOYSA-M

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