3-[(3-Carboxy-4-Hydroxy-5-Methyl-Phenyl)-(3-Carboxy-5-Methyl-4-Oxo-Cyclohexa-2,5-Dien-1-Ylidene)Methyl]-2-Hydroxy-5-Methyl-Benzoic Acid
[CAS# 3267-41-2]

Identification

• Name: 3-[(3-Carboxy-4-Hydroxy-5-Methyl-Phenyl)-(3-Carboxy-5-Methyl-4-Oxo-Cyclohexa-2,5-Dien-1-Ylidene)Methyl]-2-Hydroxy-5-Methyl-Benzoic Acid
• Synonyms: Benzoic acid, 3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-5-methyl-
• Molecular Formula: C₂₅H₂₀O₉
• Molecular Weight: 464.42
• CAS Registry Number: 3267-41-2
• SMILES: Cc1cc(c(c(c1)C(=O)O)O)C(=C2C=C(C(=O)C(=C2)C(=O)O)C)c3cc(c(c(c3)C(=O)O)O)C
• InChI: 1S/C25H20O9/c1-10-4-15(22(28)16(5-10)23(29)30)19(13-6-11(2)20(26)17(8-13)24(31)32)14-7-12(3)21(27)18(9-14)25(33)34/h4-9,26,28H,1-3H3,(H,29,30)(H,31,32)(H,33,34)
• InChIKey: BAYIQEWBFGERAF-UHFFFAOYSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 749.835°C at 760 mmHg (Cal.)
• Flash point: 421.214°C (Cal.)