5,5'-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methylene]Bis[2-Hydroxy-3-Methylbenzoic Acid]
[CAS# 2947-64-0]

Identification

• Name: 5,5'-[(3-Carboxy-5-Methyl-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methylene]Bis[2-Hydroxy-3-Methylbenzoic Acid]
• Synonyms: 5-[(3-Carboxy-4-Hydroxy-5-Methyl-Phenyl)-(3-Carboxy-5-Methyl-4-Oxo-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 5-[(3-Carboxy-4-Hydroxy-5-Methyl-Phenyl)-(3-Carboxy-4-Keto-5-Methyl-1-Cyclohexa-2,5-Dienylidene)Methyl]-2-Hydroxy-3-Methyl-Benzoic Acid; Aids073151
• Molecular Formula: C₂₅H₂₀O₉
• Molecular Weight: 464.43
• CAS Registry Number: 2947-64-0
• SMILES: C1=C(C(=C(C=C1C(C2=CC(=C(C(=C2)C(O)=O)O)C)=C3C=C(C(=O)C(=C3)C)C(O)=O)C)O)C(O)=O
• InChI: 1S/C25H20O9/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34)
• InChIKey: HNIYZPOKRGNVEA-UHFFFAOYSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 744.455°C at 760 mmHg (Cal.)
• Flash point: 417.963°C (Cal.)