2-[2-[[5-Bromo-3-(2-Carboxyethyl)-3H-Benzothiazol-2-Ylidene]Methyl]Buten-1-Yl]-3-Ethyl-5,6-Dimethylbenzothiazolium Iodide
[CAS# 70942-27-7]

Identification

• Name: 2-[2-[[5-Bromo-3-(2-Carboxyethyl)-3H-Benzothiazol-2-Ylidene]Methyl]Buten-1-Yl]-3-Ethyl-5,6-Dimethylbenzothiazolium Iodide
• Synonyms: 3-[5-Bromo-2-[(E)-2-[(Z)-(3-Ethyl-5,6-Dimethyl-1,3-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-1,3-Benzothiazol-3-Ium-3-Yl]Propionic Acid Iodide; 2-(2-((5-Bromo-3-(2-Carboxyethyl)-3H-Benzothiazol-2-Ylidene)Methyl)Buten-1-Yl)-3-Ethyl-5,6-Dimethylbenzothiazolium Iodide; 5-Bromo-3-(2-Carboxyethyl)-2-(2-Ethyl-3-(3-Ethyl-5,6-Dimethyl-2(3H)-Benzothiazolylidene)-1-Propenyl)Benzothiazolium Iodide
• Molecular Formula: C₂₆H₂₈BrIN₂O₂S₂
• Molecular Weight: 671.45
• CAS Registry Number: 70942-27-7
• EINECS: 275-034-4
• SMILES: C1=C(C(=CC2=C1N(C(S2)=CC(=CC3=[N+](C4=C(S3)C=CC(=C4)Br)CCC(O)=O)CC)CC)C)C.[I-]
• InChI: 1S/C26H27BrN2O2S2.HI/c1-5-18(13-24-28(6-2)20-11-16(3)17(4)12-23(20)33-24)14-25-29(10-9-26(30)31)21-15-19(27)7-8-22(21)32-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H
• InChIKey: ZDHQPVVLXPNUHD-UHFFFAOYSA-N