3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-1-Cyclohexen-1-Yl}Vinyl]-1,3-Benzothiazol-3-Ium Iodide
[CAS# 53019-70-8]

Identification

• Name: 3-Ethyl-2-[(E)-2-{(3E)-3-[(2Z)-2-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Ethylidene]-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}-1-cyclohexen-1-yl)ethenyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[2-[3-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-, iodide (9CI)
• Molecular Formula: C₂₈H₂₉IN₂S₂
• Molecular Weight: 584.58
• CAS Registry Number: 53019-70-8
• SMILES: CC[n+]1c2ccccc2sc1C=CC3=CC(=CC=C4N(c5ccccc5S4)CC)CCC3.[I-]
• InChI: 1S/C28H29N2S2.HI/c1-3-29-23-12-5-7-14-25(23)31-27(29)18-16-21-10-9-11-22(20-21)17-19-28-30(4-2)24-13-6-8-15-26(24)32-28;/h5-8,12-20H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
• InChIKey: NMPRQJMDWNNKJN-UHFFFAOYSA-M