5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(3-Methyl-5-Oxo-1-Phenyl-4,5-Dihydro-1H-Pyrazol-4-Yl)Methyl]-2-Hydroxy-3-Methylbenzoic Acid
[CAS# 6411-50-3]

Identification

• Name: 5-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)(3-Methyl-5-Oxo-1-Phenyl-4,5-Dihydro-1H-Pyrazol-4-Yl)Methyl]-2-Hydroxy-3-Methylbenzoic Acid
• Molecular Formula: C₂₇H₂₂N₂O₇
• Molecular Weight: 486.47
• CAS Registry Number: 6411-50-3
• SMILES: Cc1cc(cc(c1O)C(=O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3C(=NN(C3=O)c4ccccc4)C
• InChI: 1S/C27H22N2O7/c1-13-9-16(11-19(23(13)30)26(33)34)22(17-10-14(2)24(31)20(12-17)27(35)36)21-15(3)28-29(25(21)32)18-7-5-4-6-8-18/h4-12,21,30H,1-3H3,(H,33,34)(H,35,36)
• InChIKey: OYISIKOEQYNDPM-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 777.072°C at 760 mmHg (Cal.)
• Flash point: 423.758°C (Cal.)