3-Ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-Benzothiazolium iodide
[CAS# 20517-94-6]

Identification

• Name: 3-Ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-Benzothiazolium iodide
• Synonyms: (2Z)-3-Ethyl-2-[[(3Z)-3-[(3-Ethyl-2H-1,3-Benzothiazol-1-Ium-2-Yl)Methylene]-5,5-Dimethyl-1-Cyclohexenyl]Methylene]-1,3-Benzothiazole Iodide; Nk 1836; 3-Ethyl-2-((3-((3-Ethylbenzothiazol-2(3H)-Ylidene)Methyl)-5,5-Dimethylcyclohex-2-En-1-Ylidene)Methyl)Benzothiazolium Iodide
• Molecular Formula: C₂₈H₃₃IN₂S₂
• Molecular Weight: 588.61
• CAS Registry Number: 20517-94-6
• EINECS: 243-858-3
• SMILES: [SH+]1C(N(C2=CC=CC=C12)CC)/C=C3/CC(CC(=C3)\C=C\5SC4=CC=CC=C4N5CC)(C)C.[I-]
• InChI: 1S/C28H32N2S2.HI/c1-5-29-22-11-7-9-13-24(22)31-26(29)16-20-15-21(19-28(3,4)18-20)17-27-30(6-2)23-12-8-10-14-25(23)32-27;/h7-17,26H,5-6,18-19H2,1-4H3;1H/b20-16+,27-17-
• InChIKey: ILFJXIDYZWVBQQ-WIDSRCTQSA-N