4-[4,5-Dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid
[CAS# 27969-56-8]

Identification

• Name: 4-[4,5-Dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid
• Synonyms: 4-[3-Methyl-4-[(1E,3E,5Z)-5-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4-Pyrazolylidene]Penta-1,3-Dienyl]-5-Oxo-2H-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[5-Keto-4-[(1E,3E,5Z)-5-[5-Keto-3-Methyl-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Penta-1,3-Dienyl]-3-Methyl-2H-Pyrazol-1-Yl]Benzenesulfonic Acid; Benzenesulfonic Acid, 4-(4,5-Dihydro-4-(5-(5-Hydroxy-3-Methyl-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl)-2,4-Pentadienylidene)-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-
• Molecular Formula: C₂₅H₂₂N₄O₈S₂
• Molecular Weight: 570.59
• CAS Registry Number: 27969-56-8
• EINECS: 248-752-0
• SMILES: C4=C(N1NC(=C(C1=O)\C=C\C=C\C=C3\C(=NN(C2=CC=C([S](O)(=O)=O)C=C2)C3=O)C)C)C=CC(=C4)[S](O)(=O)=O
• InChI: 1S/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,26H,1-2H3,(H,32,33,34)(H,35,36,37)/b5-3+,6-4+,23-7-
• InChIKey: TZTOFZIBLYUIGG-GSLHRLMQSA-N

Properties

• Density: 1.504g/cm³ (Cal.)