3,3'-Diethyl-4,5,4',5'-dibenzothiatricarbocyanine iodide
[CAS# 20682-18-2]

Identification

• Name: 3,3'-Diethyl-4,5,4',5'-dibenzothiatricarbocyanine iodide
• Synonyms: 1-Ethyl-2-[7-(1-Ethylbenzo[E][1,3]Benzothiazol-2-Ylidene)Hepta-1,3,5-Trienyl]Benzo[E][1,3]Benzothiazol-1-Ium Iodide; 1-Ethyl-2-[(1E,3E,5E,7Z)-7-(1-Ethyl-2-Benzo[E][1,3]Benzothiazolylidene)Hepta-1,3,5-Trienyl]Benzo[E][1,3]Benzothiazol-1-Ium Iodide; 1-Ethyl-2-[7-(1-Ethyl-2-Benzo[E][1,3]Benzothiazolylidene)Hepta-1,3,5-Trienyl]Benzo[E][1,3]Benzothiazol-1-Ium Iodide
• Molecular Formula: C₃₃H₂₉IN₂S₂
• Molecular Weight: 644.63
• CAS Registry Number: 20682-18-2
• SMILES: C2=C1SC(=[N+](C1=C3C(=C2)C=CC=C3)CC)C=CC=C/C=C/C=C/5SC4=CC=C6C(=C4N5CC)C=CC=C6.[I-]
• InChI: 1S/C33H29N2S2.HI/c1-3-34-30(36-28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-6-5-7-9-19-31-35(4-2)33-27-17-13-11-15-25(27)21-23-29(33)37-31;/h5-23H,3-4H2,1-2H3;1H/q+1;/p-1
• InChIKey: JJVOAWNDTVBNAM-UHFFFAOYSA-M