3-Ethyl-2-[(E)-{3-[(Z)-(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]

Identification

• Name: 3-Ethyl-2-[(E)-{3-[(Z)-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-2,5,5-trimethyl-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}-2,5,5-trimethyl-2-cyclohexen-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2,5,5-trimethyl-2-cyclohexen-1-ylidene]methyl]-, iodide (9CI)
• Molecular Formula: C₂₉H₃₃IN₂S₂
• Molecular Weight: 600.62
• CAS Registry Number: 70677-52-0
• SMILES: CC[n+]1c2ccccc2sc1C=C3CC(CC(=C3C)C=C4N(c5ccccc5S4)CC)(C)C.[I-]
• 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: WYEOWHRDKALYRZ-UHFFFAOYSA-M