4-[(4Z)-3-Methyl-4-{[5-Methyl-3-Oxo-2-(4-Sulfophenyl)-2,3-Dihydro-1H-Pyrazol-4-Yl]Methylene}-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl]Benzenesulfonic Acid
[CAS# 51596-04-4]

Identification

• Name: 4-[(4Z)-3-Methyl-4-{[5-Methyl-3-Oxo-2-(4-Sulfophenyl)-2,3-Dihydro-1H-Pyrazol-4-Yl]Methylene}-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Synonyms: 4-(3-METHYL-4-{[5-METHYL-3-OXO-2-(4-SULFOPHENYL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]METHYLIDENE}-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID; Benzenesulfonic acid, 4-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-; p-(4,5-Dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
• Molecular Formula: C₂₁H₁₈N₄O₈S₂
• Molecular Weight: 518.52
• CAS Registry Number: 51596-04-4
• EINECS: 257-311-1
• SMILES: O=S(=O)(O)c1ccc(cc1)N2N\C(=C(/C2=O)\C=C4\C(=N/N(c3ccc(cc3)S(=O)(=O)O)C4=O)C)C
• InChI: 1S/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,22H,1-2H3,(H,28,29,30)(H,31,32,33)/b19-11-
• InChIKey: UMEYRAKVIDOKMU-ODLFYWEKSA-N

Properties

• Density: 1.645g/cm³ (Cal.)