2-[2-[[3-(2-Carboxyethyl)-6-Methoxy-3H-Benzothiazol-2-Ylidene]Methyl]-1-Butenyl]-1-Methylnaphtho[1,2-d]Thiazolium Iodide
[CAS# 63870-55-3]

Identification

• Name: 2-[2-[[3-(2-Carboxyethyl)-6-Methoxy-3H-Benzothiazol-2-Ylidene]Methyl]-1-Butenyl]-1-Methylnaphtho[1,2-d]Thiazolium Iodide
• Synonyms: 3-[(2Z)-6-Methoxy-2-[(2Z)-2-[(1-Methylbenzo[E][1,3]Benzothiazol-1-Ium-2-Yl)Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propanoic Acid Iodide; 3-[(2Z)-6-Methoxy-2-[(2Z)-2-[(1-Methyl-2-Benzo[E][1,3]Benzothiazol-1-Iumyl)Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propanoic Acid Iodide; 3-[(2Z)-2-[(Z)-2-Ethyl-3-(1-Methylbenzo[E][1,3]Benzothiazol-1-Ium-2-Yl)Prop-2-Enylidene]-6-Methoxy-1,3-Benzothiazol-3-Yl]Propionic Acid Iodide
• Molecular Formula: C₂₈H₂₇IN₂O₃S₂
• Molecular Weight: 630.56
• CAS Registry Number: 63870-55-3
• EINECS: 264-539-5
• SMILES: C2=CC1=CC=CC=C1C3=C2SC(=[N+]3C)C=C(C=C4SC5=C(N4CCC(O)=O)C=CC(=C5)OC)CC.[I-]
• InChI: 1S/C28H26N2O3S2.HI/c1-4-18(15-25-29(2)28-21-8-6-5-7-19(21)9-12-23(28)34-25)16-26-30(14-13-27(31)32)22-11-10-20(33-3)17-24(22)35-26;/h5-12,15-17H,4,13-14H2,1-3H3;1H
• InChIKey: CCNCXJODMKBCDS-UHFFFAOYSA-N