3-Ethyl-2-[(E)-{3-[(E)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-Methyl-2-Cyclohexen-1-Ylidene}Methyl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 54118-16-0]

Identification

• Name: 3-Ethyl-2-[(E)-{3-[(E)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-Methyl-2-Cyclohexen-1-Ylidene}Methyl]-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-ethyl-2-[(3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5-methyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-5-methyl-2-cyclohexen-1-ylidene]methyl]-, iodide (9CI)
• Molecular Formula: C₂₇H₂₉IN₂S₂
• Molecular Weight: 572.57
• CAS Registry Number: 54118-16-0
• SMILES: [I-].S\1c5ccccc5N(C/1=C/C4=C/C(=C/c3sc2ccccc2[n+]3CC)CC(C)C4)CC
• InChI: 1S/C27H29N2S2.HI/c1-4-28-22-10-6-8-12-24(22)30-26(28)17-20-14-19(3)15-21(16-20)18-27-29(5-2)23-11-7-9-13-25(23)31-27;/h6-13,16-19H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
• InChIKey: FQDCJNDJNTVYEI-UHFFFAOYSA-M