N-[4-[[4-[Bis(2-Hydroxyethyl)Amino]Phenyl](3-Sulfonatophenyl)Methylene]-2,5-Cyclohexadien-1-Ylidene]-2-Hydroxy-N-(2-Hydroxyethyl)Ethanaminium
[CAS# 63217-00-5]

Identification

• Name: N-[4-[[4-[Bis(2-Hydroxyethyl)Amino]Phenyl](3-Sulfonatophenyl)Methylene]-2,5-Cyclohexadien-1-Ylidene]-2-Hydroxy-N-(2-Hydroxyethyl)Ethanaminium
• Synonyms: Ethanaminium, N-(4-((4-Bis(2-Hydroxyethyl)Amino)Phenyl)(3-Sulfophenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-2-Hydroxy-N-(2-Hydroxyethyl)-, Hydroxide, Inner Salt; Ethanaminium, N-(4-((4-(Bis(2-Hydroxyethyl)Amino)Phenyl)(3-Sulfophenyl)Methylene)-2,5-Cyclohexadien-1-Ylidene)-2-Hydroxy-N-(2-Hydroxyethyl)-, Inner Salt
• Molecular Formula: C₂₇H₃₂N₂O₇S
• Molecular Weight: 528.62
• CAS Registry Number: 63217-00-5
• SMILES: [C+](C1=CC=CC(=C1)[S]([O-])(=O)=O)(C2=CC=C(N(CCO)CCO)C=C2)C3=CC=C(N(CCO)CCO)C=C3
• InChI: 1S/C27H32N2O7S/c30-16-12-28(13-17-31)24-8-4-21(5-9-24)27(23-2-1-3-26(20-23)37(34,35)36)22-6-10-25(11-7-22)29(14-18-32)15-19-33/h1-11,20,30-33H,12-19H2
• InChIKey: OBUIQLBAKJEFLP-UHFFFAOYSA-N