2-[2-[[3-(2-Carboxyethyl)-5-Chloro-2(3H)-Benzothiazolylidene]Methyl]-1-Buten-1-Yl]-5-Chloro-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
[CAS# 94232-70-9]

Identification

• Name: 2-[2-[[3-(2-Carboxyethyl)-5-Chloro-2(3H)-Benzothiazolylidene]Methyl]-1-Buten-1-Yl]-5-Chloro-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
• Synonyms: 2-(2-((3-(2-Carboxyethyl)-5-Chloro-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)-5-Chloro-3-(3-Sulphonatopropyl)Benzothiazolium
• Molecular Formula: C₂₅H₂₆Cl₂N₂O₅S₃
• Molecular Weight: 601.58
• CAS Registry Number: 94232-70-9
• EINECS: 303-998-9
• SMILES: [SH+]1C(N(CCC[S]([O-])(=O)=O)C2=C1C=CC(=C2)Cl)\C=C(CC)\C=C\3SC4=C(N3CCC(O)=O)C=C(Cl)C=C4
• InChI: 1S/C25H26Cl2N2O5S3/c1-2-16(13-24-29(10-8-25(30)31)20-15-18(27)5-7-22(20)36-24)12-23-28(9-3-11-37(32,33)34)19-14-17(26)4-6-21(19)35-23/h4-7,12-15,23H,2-3,8-11H2,1H3,(H,30,31)(H,32,33,34)/b16-12+,24-13-
• InChIKey: BVDIJGJGMDUCHA-AZNIMHGRSA-N