5-Methoxy-3-Methyl-2-[2-[[3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]Benzoxazolium
[CAS# 55811-26-2]

Identification

• Name: 5-Methoxy-3-Methyl-2-[2-[[3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]Benzoxazolium
• Synonyms: 3-[(2Z)-2-[(2E)-2-[(3-Methyl-5-Methyloxonio-2H-1,3-Benzoxazol-2-Yl)Methylene]Butylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 3-[(2Z)-2-[(E)-2-Ethyl-3-(3-Methyl-5-Methyloxonio-2H-1,3-Benzoxazol-2-Yl)Prop-2-Enylidene]-1,3-Benzothiazol-3-Yl]Propane-1-Sulfonate; 5-Methoxy-3-Methyl-2-(2-((3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)Benzoxazolium
• Molecular Formula: C₂₄H₂₈N₂O₅S₂
• Molecular Weight: 488.62
• CAS Registry Number: 55811-26-2
• EINECS: 259-834-0
• SMILES: [OH+](C4=CC1=C(OC(N1C)/C=C(/C=C/3SC2=CC=CC=C2N3CCC[S]([O-])(=O)=O)CC)C=C4)C
• InChI: 1S/C24H28N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16,23H,4,7,12-13H2,1-3H3,(H,27,28,29)/b17-14+,24-15-
• InChIKey: UNQQTZQPDROGCN-NEZMXQLUSA-N