Hydrogen 5-Methyl-2-[2-[[5-Phenyl-3-(3-Sulphonatopropyl)-3H-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-3-(3-Sulphonatopropyl)Benzoxazolium
[CAS# 64722-50-5]

Identification

• Name: Hydrogen 5-Methyl-2-[2-[[5-Phenyl-3-(3-Sulphonatopropyl)-3H-Benzoxazol-2-Ylidene]Methyl]But-1-Enyl]-3-(3-Sulphonatopropyl)Benzoxazolium
• Synonyms: 3-[(2Z)-5-Methyl-2-[(2E)-2-[[5-Phenyl-3-(3-Sulfopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]Methylene]Butylidene]-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate; 3-[(2Z)-2-[(E)-2-Ethyl-3-[5-Phenyl-3-(3-Sulfopropyl)-1,3-Benzoxazol-3-Ium-2-Yl]Prop-2-Enylidene]-5-Methyl-1,3-Benzoxazol-3-Yl]Propane-1-Sulfonate
• Molecular Formula: C₃₂H₃₄N₂O₈S₂
• Molecular Weight: 638.75
• CAS Registry Number: 64722-50-5
• EINECS: 265-034-2
• SMILES: C2=C1N(C(OC1=CC=C2C3=CC=CC=C3)=CC(=CC5=[N+](C4=CC(=CC=C4O5)C)CCC[S]([O-])(=O)=O)CC)CCC[S](=O)(=O)O
• InChI: 1S/C32H34N2O8S2/c1-3-24(20-31-33(15-7-17-43(35,36)37)27-19-23(2)11-13-29(27)41-31)21-32-34(16-8-18-44(38,39)40)28-22-26(12-14-30(28)42-32)25-9-5-4-6-10-25/h4-6,9-14,19-22H,3,7-8,15-18H2,1-2H3,(H-,35,36,37,38,39,40)
• InChIKey: NFYQVUOVNAWSLM-UHFFFAOYSA-N