Disodium 4-[4-[[3-[Benzyl[3-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoyl]Amino]-P-Tolyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
[CAS# 93783-19-8]

Identification

• Name: Disodium 4-[4-[[3-[Benzyl[3-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzoyl]Amino]-P-Tolyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
• Synonyms: Disodium 4-[3-Methyl-4-[4-Methyl-3-[[3-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoyl]-(Phenylmethyl)Amino]Phenyl]Azo-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-[3-Methyl-4-[4-Methyl-3-[[[3-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)
• Molecular Formula: C₄₁H₃₃N₉Na₂O₉S₂
• Molecular Weight: 905.87
• CAS Registry Number: 93783-19-8
• EINECS: 298-225-4
• SMILES: C7=C(N6N=C(C(N=NC1=CC(=C(C=C1)C)N(C(=O)C2=CC(=CC=C2)N=NC3C(=O)N(N=C3C)C4=CC=C([S]([O-])(=O)=O)C=C4)CC5=CC=CC=C5)C6=O)C)C=CC(=C7)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C41H35N9O9S2.2Na/c1-25-12-13-31(43-45-38-27(3)47-50(41(38)53)33-16-20-35(21-17-33)61(57,58)59)23-36(25)48(24-28-8-5-4-6-9-28)39(51)29-10-7-11-30(22-29)42-44-37-26(2)46-49(40(37)52)32-14-18-34(19-15-32)60(54,55)56;;/h4-23,37-38H,24H2,1-3H3,(H,54,55,56)(
• InChIKey: FXIMKHARKCPNAG-UHFFFAOYSA-L