3-Hexadecyl-2-[(1E,3Z)-3-(3-Hexadecyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Propen-1-Yl]-1,3-Benzothiazol-3-Ium Perchlorate
[CAS# 206129-44-4]

Identification

• Name: 3-Hexadecyl-2-[(1E,3Z)-3-(3-Hexadecyl-1,3-Benzothiazol-2(3H)-Ylidene)-1-Propen-1-Yl]-1,3-Benzothiazol-3-Ium Perchlorate
• Synonyms: 3-hexadecyl-2-{(E)-3-[3-hexadecyl-1,3-benzothiazol-2(3H)-ylidene]-1-propenyl}-1,3-benzothiazol-3-ium perchlorate; Benzothiazolium, 3-hexadecyl-2-[3-(3-hexadecyl-2(3H)-benzothiazolylidene)-1-propenyl]-, perchlorate (9CI); ; D 494
• Molecular Formula: C₄₉H₇₇ClN₂O₄S₂
• Molecular Weight: 857.73
• CAS Registry Number: 206129-44-4
• SMILES: CCCCCCCCCCCCCCCC[n+]1c2ccccc2sc1C=CC=C3N(c4ccccc4S3)CCCCCCCCCCCCCCCC.[O-]Cl(=O)(=O)=O
• InChI: 1S/C49H77N2S2.ClHO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-42-50-44-36-29-31-38-46(44)52-48(50)40-35-41-49-51(45-37-30-32-39-47(45)53-49)43-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1(3,4)5/h29-32,35-41H,3-28,33-34,42-43H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
• InChIKey: AUTHSUHYDJCKQL-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)