2-[Bis[4-[Ethyl[(3-Sulphophenyl)Methyl]Amino]Phenyl]Methyl]Benzenesulphonic Acid
[CAS# 68155-73-7]

Identification

• Name: 2-[Bis[4-[Ethyl[(3-Sulphophenyl)Methyl]Amino]Phenyl]Methyl]Benzenesulphonic Acid
• Synonyms: 2-[Bis[4-[Ethyl-(3-Sulfobenzyl)Amino]Phenyl]Methyl]Benzenesulfonic Acid; Benzenesulfonic Acid, 2-(Bis(4-(Ethyl((3-Sulfophenyl)Methyl)Amino)Phenyl)Methyl)-
• Molecular Formula: C₃₇H₃₈N₂O₉S₃
• Molecular Weight: 750.90
• CAS Registry Number: 68155-73-7
• EINECS: 268-985-1
• SMILES: C1=CC=CC(=C1C(C3=CC=C(N(CC2=CC(=CC=C2)[S](=O)(=O)O)CC)C=C3)C5=CC=C(N(CC4=CC(=CC=C4)[S](=O)(=O)O)CC)C=C5)[S](=O)(=O)O
• InChI: 1S/C37H38N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24,37H,3-4,25-26H2,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)
• InChIKey: QNOYBCOEQMOHFR-UHFFFAOYSA-N

Properties

• Density: 1.413g/cm³ (Cal.)