3-(2-Carboxyethyl)-2-[2-[(5-Chloro-3-Ethyl-3H-Benzothiazol-2-idene)Methyl]But-1-Enyl]-6-Methoxy-5-Methylbenzothiazolium Iodide
[CAS# 63870-54-2]

Identification

• Name: 3-(2-Carboxyethyl)-2-[2-[(5-Chloro-3-Ethyl-3H-Benzothiazol-2-idene)Methyl]But-1-Enyl]-6-Methoxy-5-Methylbenzothiazolium Iodide
• Synonyms: 3-[2-[(Z)-2-[(Z)-(5-Chloro-3-Ethyl-1,3-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Methoxy-5-Methyl-1,3-Benzothiazol-3-Ium-3-Yl]Propionic Acid Iodide; Benzothiazolium, 3-(2-Carboxyethyl)-2-(2-((5-Chloro-3-Ethyl-2(3H)-Benzothiazolylidene)Methyl)-1-Butenyl)-6-Methoxy-5-Methyl-, Iodide
• Molecular Formula: C₂₆H₂₈ClIN₂O₃S₂
• Molecular Weight: 643.00
• CAS Registry Number: 63870-54-2
• EINECS: 264-537-4
• SMILES: C1=C(C(=CC2=C1[N+](=C(S2)C=C(C=C3SC4=C(N3CC)C=C(Cl)C=C4)CC)CCC(O)=O)OC)C.[I-]
• InChI: 1S/C26H27ClN2O3S2.HI/c1-5-17(12-24-28(6-2)20-14-18(27)7-8-22(20)33-24)13-25-29(10-9-26(30)31)19-11-16(3)21(32-4)15-23(19)34-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H
• InChIKey: GVPSWCPXMXRKKI-UHFFFAOYSA-N