3-Ethyl-2-[(E)-{3-[(Z)-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Methyl]-5-Methoxy-1,3-Benzothiazol-3-Ium Iodide
[CAS# 158320-43-5]

Identification

• Name: 3-Ethyl-2-[(E)-{3-[(Z)-(3-Ethyl-5-Methoxy-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5,5-Dimethyl-2-Cyclohexen-1-Ylidene}Methyl]-5-Methoxy-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 3-ethyl-2-[(3-{[3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)methyl]-5-methoxy-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 3-ethyl-2-[[3-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-5-methoxy-, iodide (9CI)
• Molecular Formula: C₃₀H₃₅IN₂O₂S₂
• Molecular Weight: 646.65
• CAS Registry Number: 158320-43-5
• SMILES: CC[n+]1c2cc(ccc2sc1C=C3CC(CC(=C3)C=C4N(c5cc(ccc5S4)OC)CC)(C)C)OC.[I-]
• InChI: 1S/C30H35N2O2S2.HI/c1-7-31-24-16-22(33-5)9-11-26(24)35-28(31)14-20-13-21(19-30(3,4)18-20)15-29-32(8-2)25-17-23(34-6)10-12-27(25)36-29;/h9-17H,7-8,18-19H2,1-6H3;1H/q+1;/p-1
• InChIKey: XLICQDUSYOJAKK-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)