Hydrogen 2-[2-[[5,6-Dimethoxy-3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Phenyl-3-(3-Sulphonatobutyl)Benzoxazolium, Sodium Salt
[CAS# 61890-96-8]

Identification

• Name: Hydrogen 2-[2-[[5,6-Dimethoxy-3-(3-Sulphonatopropyl)-3H-Benzothiazol-2-Ylidene]Methyl]But-1-Enyl]-5-Phenyl-3-(3-Sulphonatobutyl)Benzoxazolium, Sodium Salt
• Synonyms: Sodium 4-[2-[2-[[5,6-Dimethoxy-3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]Methylene]Butylidene]-5-Phenyl-1,3-Benzoxazol-3-Yl]Butane-2-Sulfonate; Sodium 4-[2-[3-[5,6-Dimethoxy-3-(3-Sulfonatopropyl)-1,3-Benzothiazol-3-Ium-2-Yl]-2-Ethyl-Prop-2-Enylidene]-5-Phenyl-1,3-Benzoxazol-3-Yl]Butane-2-Sulfonate; Benzoxazolium, 2-(2-((5,6-Dimethoxy-3-(3-Sulfopropyl)-2(3H)-Benzothiazolylidene)Methyl)-1-Butenyl)-5-Phenyl-3-(3-Sulfobutyl)-, Inner Salt, Sodium Salt
• Molecular Formula: C₃₄H₃₇N₂NaO₉S₃
• Molecular Weight: 736.84
• CAS Registry Number: 61890-96-8
• EINECS: 263-300-2
• SMILES: C2=C1N(C(SC1=CC(=C2OC)OC)=CC(=CC3=[N+](C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CCC([S]([O-])(=O)=O)C)CC)CCC[S]([O-])(=O)=O.[Na+]
• InChI: 1S/C34H38N2O9S3.Na/c1-5-24(19-34-36(15-9-17-47(37,38)39)28-21-30(43-3)31(44-4)22-32(28)46-34)18-33-35(16-14-23(2)48(40,41)42)27-20-26(12-13-29(27)45-33)25-10-7-6-8-11-25;/h6-8,10-13,18-23H,5,9,14-17H2,1-4H3,(H-,37,38,39,40,41,42);/q;+1/p-1
• InChIKey: JWLOSFPPSXIHSQ-UHFFFAOYSA-M