Disodium Hydrogen 2-[[1-[4-[2-(4-Amino-2-Sulphonatophenyl)Vinyl]-3-Sulphonatophenyl]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Benzoate
[CAS# 68227-65-6]

Identification

• Name: Disodium Hydrogen 2-[[1-[4-[2-(4-Amino-2-Sulphonatophenyl)Vinyl]-3-Sulphonatophenyl]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Benzoate
• Synonyms: Disodium 2-[[1-[4-[(E)-2-(4-Amino-2-Sulfo-Phenyl)Vinyl]-3-Sulfonato-Phenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]Benzoate; Disodium 2-[[1-[4-[(E)-2-(4-Amino-2-Sulfophenyl)Vinyl]-3-Sulfonatophenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]Benzoate; Disodium 2-[[1-[4-[(E)-2-(4-Amino-2-Sulfo-Phenyl)Vinyl]-3-Sulfonato-Phenyl]-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Azo]Benzoate
• Molecular Formula: C₂₅H₁₉N₅Na₂O₉S₂
• Molecular Weight: 643.55
• CAS Registry Number: 68227-65-6
• EINECS: 269-376-3
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1N3N=C(C(N=NC2=CC=CC=C2C([O-])=O)C3=O)C)\C=C\C4=CC=C(N)C=C4[S](=O)(=O)O.[Na+].[Na+]
• InChI: 1S/C25H21N5O9S2.2Na/c1-14-23(28-27-20-5-3-2-4-19(20)25(32)33)24(31)30(29-14)18-11-9-16(22(13-18)41(37,38)39)7-6-15-8-10-17(26)12-21(15)40(34,35)36;;/h2-13,23H,26H2,1H3,(H,32,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b7-6+,28-27?
• InChIKey: WYUMVBKVYIOELZ-BDQCPVHUSA-L