5-Phenyl-2-[[5-Phenyl-3-(3-Sulfonatopropyl)Benzoxazol-2(3H)-Ylidene]Methyl]-3-(3-Sulfonatopropyl)Benzothiazol-3-Ium
[CAS# 60507-44-0]

Identification

• Name: 5-Phenyl-2-[[5-Phenyl-3-(3-Sulfonatopropyl)Benzoxazol-2(3H)-Ylidene]Methyl]-3-(3-Sulfonatopropyl)Benzothiazol-3-Ium
• Synonyms: Benzoxazolium, 5-Phenyl-2-((5-Phenyl-3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene)Methyl)-3-(3-Sulfopropyl)-, Hydroxide, Inner Salt; Benzoxazolium, 5-Phenyl-2-((5-Phenyl-3-(3-Sulfopropyl)-2(3H)-Benzoxazolylidene)Methyl)-3-(3-Sulfopropyl)-, Inner Salt
• Molecular Formula: C₃₃H₃₀N₂O₈S₂
• Molecular Weight: 646.73
• CAS Registry Number: 60507-44-0
• SMILES: C2=C1[N+](=C(OC1=CC=C2C3=CC=CC=C3)CC5=[N+](C4=CC(=CC=C4O5)C6=CC=CC=C6)CCC[S]([O-])(=O)=O)CCC[S]([O-])(=O)=O
• InChI: 1S/C33H30N2O8S2/c36-44(37,38)19-7-17-34-28-21-26(24-9-3-1-4-10-24)13-15-30(28)42-32(34)23-33-35(18-8-20-45(39,40)41)29-22-27(14-16-31(29)43-33)25-11-5-2-6-12-25/h1-6,9-16,21-22H,7-8,17-20,23H2
• InChIKey: VRYXUZYXDROIKR-UHFFFAOYSA-N