Trisodium 2-[4-[[4-[[4-[(4-Amino-2-Methylphenyl)Azo]Benzoyl]Amino]-3-Sulphonatophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzene-1,4-Disulphonate
[CAS# 94200-35-8]

Identification

• Name: Trisodium 2-[4-[[4-[[4-[(4-Amino-2-Methylphenyl)Azo]Benzoyl]Amino]-3-Sulphonatophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzene-1,4-Disulphonate
• Synonyms: Trisodium 2-[4-[4-[[4-(4-Amino-2-Methyl-Phenyl)Azobenzoyl]Amino]-3-Sulfonato-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate; Trisodium 2-[4-[4-[[[4-(4-Amino-2-Methylphenyl)Azophenyl]-Oxomethyl]Amino]-3-Sulfonatophenyl]Azo-3-Methyl-5-Oxo-
• Molecular Formula: C₃₀H₂₃N₈Na₃O₁₁S₃
• Molecular Weight: 836.71
• CAS Registry Number: 94200-35-8
• EINECS: 303-512-5
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1N5N=C(C(N=NC4=CC(=C(NC(=O)C3=CC=C(N=NC2=C(C=C(N)C=C2)C)C=C3)C=C4)[S]([O-])(=O)=O)C5=O)C)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C30H26N8O11S3.3Na/c1-16-13-19(31)5-10-23(16)35-33-20-6-3-18(4-7-20)29(39)32-24-11-8-21(14-27(24)52(47,48)49)34-36-28-17(2)37-38(30(28)40)25-15-22(50(41,42)43)9-12-26(25)51(44,45)46;;;/h3-15,28H,31H2,1-2H3,(H,32,39)(H,41,42,43)(H,44,45,46)(H,47,48,49)
• InChIKey: WTRLNQIMJZIVJI-UHFFFAOYSA-K