3-(2-Carboxyethyl)-2-[2-[[3-(2-Carboxyethyl)-5-Chloro-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Chlorobenzothiazolium Iodide
[CAS# 94158-25-5]

Identification

• Name: 3-(2-Carboxyethyl)-2-[2-[[3-(2-Carboxyethyl)-5-Chloro-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Chlorobenzothiazolium Iodide
• Synonyms: 3-[(2Z)-2-[(2E)-2-[[3-(2-Carboxyethyl)-5-Chloro-2H-1,3-Benzothiazol-1-Ium-2-Yl]Methylene]Butylidene]-5-Chloro-1,3-Benzothiazol-3-Yl]Propanoic Acid Iodide; 3-[(2Z)-2-[(E)-3-[3-(2-Carboxyethyl)-5-Chloro-2H-1,3-Benzothiazol-1-Ium-2-Yl]-2-Ethyl-Prop-2-Enyliden
• Molecular Formula: C₂₅H₂₅Cl₂IN₂O₄S₂
• Molecular Weight: 679.41
• CAS Registry Number: 94158-25-5
• EINECS: 303-096-5
• SMILES: [SH+]1C(N(C2=C1C=CC(=C2)Cl)CCC(O)=O)\C=C(CC)\C=C\3SC4=C(N3CCC(O)=O)C=C(Cl)C=C4.[I-]
• InChI: 1S/C25H24Cl2N2O4S2.HI/c1-2-15(11-22-28(9-7-24(30)31)18-13-16(26)3-5-20(18)34-22)12-23-29(10-8-25(32)33)19-14-17(27)4-6-21(19)35-23;/h3-6,11-14,22H,2,7-10H2,1H3,(H,30,31)(H,32,33);1H/b15-11+,23-12-
• InChIKey: RXGQZXUBIAELHO-ZBVTUZOPSA-N