3-Ethyl-2-[(1E,3E)-3-{3-[(1E,3Z)-3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-propen-1-yl]-5,5-dimethyl-2-cyclohexen-1-ylidene}-1-propen-1-yl]-1,3-benzothiazol-3-ium iodide
[CAS# 68339-70-8]

Identification

• Name: 3-Ethyl-2-[(1E,3E)-3-{3-[(1E,3Z)-3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-1-propen-1-yl]-5,5-dimethyl-2-cyclohexen-1-ylidene}-1-propen-1-yl]-1,3-benzothiazol-3-ium iodide
• Synonyms: 3-ethyl-2-[(E)-3-(3-{(E)-3-[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[3-[3-[3-(3-ethyl-2(3H)-benzothiazolylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-, iodide (9CI)
• Molecular Formula: C₃₂H₃₅IN₂S₂
• Molecular Weight: 638.67
• CAS Registry Number: 68339-70-8
• SMILES: CC[n+]1c2ccccc2sc1C=CC=C3CC(CC(=C3)C=CC=C4N(c5ccccc5S4)CC)(C)C.[I-]
• InChI: 1S/C32H35N2S2.HI/c1-5-33-26-15-7-9-17-28(26)35-30(33)19-11-13-24-21-25(23-32(3,4)22-24)14-12-20-31-34(6-2)27-16-8-10-18-29(27)36-31;/h7-21H,5-6,22-23H2,1-4H3;1H/q+1;/p-1
• InChIKey: JGLQXQRPTWTRFQ-UHFFFAOYSA-M