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_cas
70446-13-8
pro_cdbregno
CCD00594469
pro_formula
C30 H33 N2 S3 . I
pro_molWeight
644.703

basic_info

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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