3-[[5-[[4-[[[4-[(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-2,4-Dihydroxyphenyl]Azo]-4-Hydroxybenzenesulphonic Acid
[CAS# 84963-11-1]

Identification

• Name: 3-[[5-[[4-[[[4-[(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl)Azo]Phenyl]Amino]Carbonyl]Phenyl]Azo]-2,4-Dihydroxyphenyl]Azo]-4-Hydroxybenzenesulphonic Acid
• Synonyms: (3E)-3-[(E)-[2-Hydroxy-5-[4-[[4-[N'-(3-Methyl-5-Oxo-1,4-Dihydropyrazol-4-Yl)Hydrazino]Phenyl]Carbamoyl]Phenyl]Azo-4-Oxo-1-Cyclohexa-2,5-Dienylidene]Hydrazono]-4-Oxo-Cyclohexa-1,5-Diene-1-Sulfonic Acid; (3E)-3-[(E)-[2-Hydroxy-5-[4-[[[4-[N'-(3-Methyl-5-Oxo-1,4-Dihydropyrazol-4-Yl)Hydrazino]Phenyl]Amino]-Oxomethyl]Phenyl]Azo-4-Oxo-1-Cyclohexa-2,5-Dienylidene]Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienesulfonic Acid; (3E)-3-[(E)-[2-Hydroxy-4-Keto-5-[4-[[4-[N'-(3-Keto-5-Methyl-2,4-Dihydropyrazol-4-Yl)Hydrazino]Phenyl]Carbamoyl]Phenyl]Azo-1-Cyclohexa-2,5-Dienylidene]Hydrazono]-4-Keto-Cyclohexa-1,5-Diene-1-Sulfonic Acid
• Molecular Formula: C₂₉H₂₃N₉O₈S
• Molecular Weight: 657.62
• CAS Registry Number: 84963-11-1
• EINECS: 284-812-2
• SMILES: C2=C(NNC1C(=NNC1=O)C)C=CC(=C2)NC(=O)C5=CC=C(N=NC4=CC(=N\N=C\3C=C([S](O)(=O)=O)C=CC3=O)/C(=CC4=O)O)C=C5
• InChI: 1S/C29H23N9O8S/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39/h2-14,27,33,37,41H,1H3,(H,30,42)(H,38,43)(H,44,45,46)/b34-32?,35-21+,36-23+
• InChIKey: RBXFYXAXGADKNI-WMMMWLMESA-N

Properties

• Density: 1.64g/cm³ (Cal.)