P-[4,5-Dihydro-4-[3-[5-Hydroxy-3-Methyl-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]But-2-Enylidene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
[CAS# 27981-70-0]

Identification

• Name: P-[4,5-Dihydro-4-[3-[5-Hydroxy-3-Methyl-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]But-2-Enylidene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonic Acid
• Synonyms: 4-[3-Methyl-4-[(E,4Z)-4-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4-Pyrazolylidene]But-2-Enyl]-5-Oxo-2H-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[5-Keto-4-[(E,4Z)-4-[5-Keto-3-Methyl-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]But-2-Enyl]-3-Methyl-2H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₄H₂₂N₄O₈S₂
• Molecular Weight: 558.58
• CAS Registry Number: 27981-70-0
• EINECS: 248-755-7
• SMILES: C4=C(N1NC(=C(C1=O)C\C=C\C=C2\C(=NN(C2=O)C3=CC=C([S](O)(=O)=O)C=C3)C)C)C=CC(=C4)[S](O)(=O)=O
• InChI: 1S/C24H22N4O8S2/c1-15-21(23(29)27(25-15)17-7-11-19(12-8-17)37(31,32)33)5-3-4-6-22-16(2)26-28(24(22)30)18-9-13-20(14-10-18)38(34,35)36/h3-5,7-14,26H,6H2,1-2H3,(H,31,32,33)(H,34,35,36)/b4-3+,21-5-
• InChIKey: QTIDXGRSWHFDSQ-MTAMJHIISA-N

Properties

• Density: 1.538g/cm³ (Cal.)