4-(4-Carboxy-3-Ethoxycarbonylbenzoyl)-2-Ethoxycarbonylbenzoic Acid
[CAS# 51986-91-5]

Identification

• Name: 4-(4-Carboxy-3-Ethoxycarbonylbenzoyl)-2-Ethoxycarbonylbenzoic Acid
• Synonyms: 4-(4-Carboxy-3-Ethoxycarbonyl-Benzoyl)-2-Ethoxycarbonyl-Benzoic Acid; 4-[(4-Carboxy-3-Ethoxycarbonylphenyl)-Oxomethyl]-2-Ethoxycarbonylbenzoic Acid; 2-Carbethoxy-4-(3-Carbethoxy-4-Carboxy-Benzoyl)Benzoic Acid
• Molecular Formula: C₂₁H₁₈O₉
• Molecular Weight: 414.37
• CAS Registry Number: 51986-91-5
• EINECS: 257-578-4
• SMILES: C1=C(C(=CC=C1C(=O)C2=CC(=C(C=C2)C(O)=O)C(OCC)=O)C(O)=O)C(OCC)=O
• InChI: 1S/C21H18O9/c1-3-29-20(27)15-9-11(5-7-13(15)18(23)24)17(22)12-6-8-14(19(25)26)16(10-12)21(28)30-4-2/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)
• InChIKey: GUELVDUBXBMBMG-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 665.861°C at 760 mmHg (Cal.)
• Flash point: 234.87°C (Cal.)