4-(5-Hydroxy-3-Methyl-4-{3-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1,5-Dihydro-4H-Pyrazol-4-Ylidene]-1-Propen-1-Yl}-1H-Pyrazol-1-Yl)Benzenesulfonic Acid
[CAS# 24704-54-9]

Identification

• Name: 4-(5-Hydroxy-3-Methyl-4-{3-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1,5-Dihydro-4H-Pyrazol-4-Ylidene]-1-Propen-1-Yl}-1H-Pyrazol-1-Yl)Benzenesulfonic Acid
• Synonyms: p-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
• Molecular Formula: C₂₃H₂₀N₄O₈S₂
• Molecular Weight: 544.56
• CAS Registry Number: 24704-54-9
• EINECS: 246-424-1
• SMILES: OS(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)c4O
• InChI: 1S/C23H20N4O8S2/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35/h3-13,28H,1-2H3,(H,30,31,32)(H,33,34,35)
• InChIKey: FNDCLGUEMQQMSV-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Refractive index: 1.704 (Cal.)