1-Methyl-2-[2-[[5-Phenyl-3-(3-Sulphonatobutyl)-3H-Benzoxazol-2-Ylidene]Methyl]-1-Butenyl]Naphtho[1,2-d]Thiazolium
[CAS# 61891-06-3]

Identification

• Name: 1-Methyl-2-[2-[[5-Phenyl-3-(3-Sulphonatobutyl)-3H-Benzoxazol-2-Ylidene]Methyl]-1-Butenyl]Naphtho[1,2-d]Thiazolium
• Synonyms: 4-[(2Z)-2-[(2Z)-2-[(1-Methylbenzo[E][1,3]Benzothiazol-1-Ium-2-Yl)Methylene]Butylidene]-5-Phenyl-1,3-Benzoxazol-3-Yl]Butane-2-Sulfonate; 4-[(2Z)-2-[(2Z)-2-[(1-Methyl-2-Benzo[E][1,3]Benzothiazol-1-Iumyl)Methylene]Butylidene]-5-Phenyl-1,3-Benzoxazol-3-Yl]Butane-2-Sulfonate; 4-[(2Z)-2-[(Z)-2-Ethyl-3-(1-Methylbenzo[E][1,3]Benzothiazol-1-Ium-2-Yl)Prop-2-Enylidene]-5-Phenyl-1,3-Benzoxazol-3-Yl]Butane-2-Sulfonate
• Molecular Formula: C₃₄H₃₂N₂O₄S₂
• Molecular Weight: 596.76
• CAS Registry Number: 61891-06-3
• EINECS: 263-301-8
• SMILES: C2=C1SC(N(C1=C3C(=C2)C=CC=C3)C)=CC(=CC5=[N+](C4=CC(=CC=C4O5)C6=CC=CC=C6)CCC([S]([O-])(=O)=O)C)CC
• InChI: 1S/C34H32N2O4S2/c1-4-24(21-33-35(3)34-28-13-9-8-12-26(28)15-17-31(34)41-33)20-32-36(19-18-23(2)42(37,38)39)29-22-27(14-16-30(29)40-32)25-10-6-5-7-11-25/h5-17,20-23H,4,18-19H2,1-3H3
• InChIKey: UTWDDUSYMGRCJC-UHFFFAOYSA-N