3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methyl-1-cyclopenten-1-yl}vinyl]-1,3-benzothiazol-3-ium iodide
[CAS# 70446-31-0]

Identification

• Name: 3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methyl-1-cyclopenten-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-cyclopenten-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-methyl-1-cyclopenten-1-yl]ethenyl]-, iodide (9CI)
• Molecular Formula: C₂₈H₂₉IN₂S₂
• Molecular Weight: 584.58
• CAS Registry Number: 70446-31-0
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=C(C(=CC=C4N(c5ccccc5S4)CC)CC3)C.[I-]
• InChI: 1S/C28H29N2S2.HI/c1-4-29-23-10-6-8-12-25(23)31-27(29)18-16-21-14-15-22(20(21)3)17-19-28-30(5-2)24-11-7-9-13-26(24)32-28;/h6-13,16-19H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
• InChIKey: NVJNVWJVFOKKJO-UHFFFAOYSA-M