3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methyl-1-cyclohexen-1-yl}vinyl]-1,3-benzothiazol-3-ium iodide
[CAS# 70446-37-6]

Identification

• Name: 3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methyl-1-cyclohexen-1-yl}vinyl]-1,3-benzothiazol-3-ium iodide
• Synonyms: 3-ethyl-2-[(E)-2-(3-{(E)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2-methyl-1-cyclohexen-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-methyl-1-cyclohexen-1-yl]ethenyl]-, iodide (9CI)
• Molecular Formula: C₂₉H₃₁IN₂S₂
• Molecular Weight: 598.60
• CAS Registry Number: 70446-37-6
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CCC3)C.[I-]
• InChI: 1S/C29H31N2S2.HI/c1-4-30-24-13-6-8-15-26(24)32-28(30)19-17-22-11-10-12-23(21(22)3)18-20-29-31(5-2)25-14-7-9-16-27(25)33-29;/h6-9,13-20H,4-5,10-12H2,1-3H3;1H/q+1;/p-1
• InChIKey: BTXRITNVKGLZBP-UHFFFAOYSA-M