Aquashade
[CAS# 92170-50-8]

Identification

• Name: Aquashade
• Synonyms: Trisodium; Ammonia; 3-[[Ethyl-[4-[[4-[Ethyl-[(3-Sulfophenyl)Methyl]Amino]Phenyl]-(2-Sulfophenyl)Methylene]-1-Cyclohexa-2,5-Dienylidene]Azaniumyl]Methyl]Benzenesulfonate; 5-Oxo-1-(4-Sulfonatophenyl)-4-(4-Sulfonatophenyl)Azo-4H-Pyrazole-3-Carboxylate; Trisod
• Molecular Formula: C₅₃H₅₁N₈Na₃O₁₈S₅
• Molecular Weight: 1317.30
• CAS Registry Number: 92170-50-8
• SMILES: N.N.[C+](C2=CC=C(N(CC1=CC(=CC=C1)[S](O)(=O)=O)CC)C=C2)(C4=CC=C(N(CC3=CC(=CC=C3)[S]([O-])(=O)=O)CC)C=C4)C5=CC=CC=C5[S](O)(=O)=O.C8=C(N7N=C(C(N=NC6=CC=C([S]([O-])(=O)=O)C=C6)C7=O)C([O-])=O)C=CC(=C8)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C37H36N2O9S3.C16H12N4O9S2.2H3N.3Na/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;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-
• InChIKey: CNXKZKXMIIEMNW-UHFFFAOYSA-K