3-(2-Carboxyethyl)-2-[2-[(3-Ethyl-6-Methoxy-5-Methyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Methoxy-5-Methylbenzothiazolium Iodide
[CAS# 63815-95-2]

Identification

• Name: 3-(2-Carboxyethyl)-2-[2-[(3-Ethyl-6-Methoxy-5-Methyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Methoxy-5-Methylbenzothiazolium Iodide
• Synonyms: 3-[2-[2-[(3-Ethyl-6-Methoxy-5-Methyl-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-((3-Ethyl-6-Methoxy-5-Methyl-2(3H)-Benzothiazolylidene)Methyl)-1-Butenyl)-6-Methoxy-5-Methyl-, Iodide
• Molecular Formula: C₂₈H₃₃IN₂O₄S₂
• Molecular Weight: 652.60
• CAS Registry Number: 63815-95-2
• EINECS: 264-483-1
• SMILES: C1=C(C(=CC2=C1[N+](=C(S2)C=C(C=C3SC4=C(N3CC)C=C(C(=C4)OC)C)CC)CCC(O)=O)OC)C.[I-]
• InChI: 1S/C28H32N2O4S2.HI/c1-7-19(13-26-29(8-2)20-11-17(3)22(33-5)15-24(20)35-26)14-27-30(10-9-28(31)32)21-12-18(4)23(34-6)16-25(21)36-27;/h11-16H,7-10H2,1-6H3;1H
• InChIKey: MSHWWNISDBKPTN-UHFFFAOYSA-N