Acid Blue 9
[CAS# 99149-43-6]

Identification

• Name: Acid Blue 9
• Synonyms: Diammonium 2-[[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Amino]Phenyl]-[4-[Ethyl-[(3-Sulfonatophenyl)Methyl]Azaniumylidene]-1-Cyclohexa-2,5-Dienylidene]Methyl]Benzenesulfonate; Diammonium 2-[[4-[Ethyl-(3-Sulfonatobenzyl)Amino]Phenyl]-[4-[Ethyl-(3-Sulfonatobenzyl
• Molecular Formula: C₃₇H₄₂N₄O₉S₃
• Molecular Weight: 782.94
• CAS Registry Number: 99149-43-6 (37307-56-5)
• SMILES: [C+](C1=C(C=CC=C1)[S](=O)(=O)[O-])(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.[NH4+].[NH4+]
• InChI: 1S/C37H36N2O9S3.2H3N/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;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3
• InChIKey: HMEKVHWROSNWPD-UHFFFAOYSA-N