5-Chloro-2-[(E)-{3-[(1E,3E)-3-{3-[(Z)-(5-Chloro-3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}-1-Propen-1-Yl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Methyl]-3-Ethyl-1 ,3-Benzothiazol-3-Ium Iodide
[CAS# 108626-72-8]

Identification

• Name: 5-Chloro-2-[(E)-{3-[(1E,3E)-3-{3-[(Z)-(5-Chloro-3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}-1-Propen-1-Yl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Methyl]-3-Ethyl-1 ,3-Benzothiazol-3-Ium Iodide
• Synonyms: 5-chloro-2-({3-[(E)-3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol; 5-chloro-2-({3-[(E)-3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide; 5-Chloro-2-[[3-[3-[3-[(5-chloro-3-ethyl-2-benzothiazolinylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-3-ethylbenzothiazolium iodide (6CI)
• Molecular Formula: C₃₉H₄₃Cl₂IN₂S₂
• Molecular Weight: 801.71
• CAS Registry Number: 108626-72-8
• SMILES: CC[n+]1c2cc(ccc2sc1C=C3CC(CC(=C3)C=CC=C4CC(CC(=C4)C=C5N(c6cc(ccc6S5)Cl)CC)(C)C)(C)C)Cl.[I-]
• InChI: 1S/C39H43Cl2N2S2.HI/c1-7-42-32-20-30(40)12-14-34(32)44-36(42)18-28-16-26(22-38(3,4)24-28)10-9-11-27-17-29(25-39(5,6)23-27)19-37-43(8-2)33-21-31(41)13-15-35(33)45-37;/h9-21H,7-8,22-25H2,1-6H3;1H/q+1;/p-1
• InChIKey: RXYNLCKGSKBAEO-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)