3-Ethyl-5-Phenyl-2-[2-[[3-(3-Sulfonatopropyl)Benzoxazol-2(3H)-Ylidene]Methyl]-1-Butenyl]Benzoxazol-3-Ium
[CAS# 63148-76-5]

Identification

• Name: 3-Ethyl-5-Phenyl-2-[2-[[3-(3-Sulfonatopropyl)Benzoxazol-2(3H)-Ylidene]Methyl]-1-Butenyl]Benzoxazol-3-Ium
• Synonyms: Benzoxazolium, 3-Ethyl-5-Phenyl-2-(2-((3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene)Methyl)-1-Butenyl)-, Inner Salt; Benzoxazolium, 3-Ethyl-5-Phenyl-2-(2-((3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene)Methyl)-1-Butenyl)-, Hydroxide, Inner Salt
• Molecular Formula: C₃₀H₃₀N₂O₅S
• Molecular Weight: 530.64
• CAS Registry Number: 63148-76-5
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)C=C(C=C5OC4=CC=CC=C4N5CCC[S]([O-])(=O)=O)CC)CC
• InChI: 1S/C30H30N2O5S/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-27(25)36-30)19-29-31(4-2)26-21-24(15-16-28(26)37-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3
• InChIKey: WGAUVXDSQMVYSD-UHFFFAOYSA-N