3-Ethyl-2-[(E)-2-{(5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-5,6-Dihydro-2H-Pyran-3-Yl}Vinyl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 59170-49-9]

Identification

• Name: 3-Ethyl-2-[(E)-2-{(5Z)-5-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-5,6-Dihydro-2H-Pyran-3-Yl}Vinyl]-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-ethyl-2-{(E)-2-[5-{(Z)-2-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]ethylidene}-2H-pyran-3(6H)-yl]ethenyl}-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[2-[5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-5,6-dihydro-2H-pyran-3-yl]ethenyl]-, iodide (9CI)
• Molecular Formula: C₂₇H₂₇IN₂OS₂
• Molecular Weight: 586.55
• CAS Registry Number: 59170-49-9
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=CC(=CC=C4N(c5ccccc5S4)CC)COC3.[I-]
• InChI: 1S/C27H27N2OS2.HI/c1-3-28-22-9-5-7-11-24(22)31-26(28)15-13-20-17-21(19-30-18-20)14-16-27-29(4-2)23-10-6-8-12-25(23)32-27;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
• InChIKey: VYEFWIXDKUNBBA-UHFFFAOYSA-M