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

pro_cas
53019-70-8
pro_cdbregno
CCD00594443
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)-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS: 53019-70-8
EnglishSynonyms: 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
pro_mdlNumber: MFCD07433761
pro_acceptors: 2
pro_donors: 0
pro_smile: CC[n+]1c2ccccc2sc1/C=C/C3=C/C(=C/C=C\4/N(c5ccccc5S4)CC)/CCC3.[I-]
InChi: InChI=1S/C28H29N2S2.HI/c1-3-29-23-12-5-7-14-25(23)31-27(29)18-16-21-10-9-11-22(20-21)17-19-28-30(4-2)24-13-6-8-15-26(24)32-28;/h5-8,12-20H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
InChiKey: InChIKey=NMPRQJMDWNNKJN-UHFFFAOYSA-M

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