(2R-trans)-1,2-Benzenedicarboxylic Acid Mono(2-(3,4-Dihydroxyphenyl)-3,4-Dihydro -5,7-Dihydroxy-2H-1-Benzopyran-3-Yl) Ester
[CAS# 71634-88-3]

Identification

• Name: (2R-trans)-1,2-Benzenedicarboxylic Acid Mono(2-(3,4-Dihydroxyphenyl)-3,4-Dihydro -5,7-Dihydroxy-2H-1-Benzopyran-3-Yl) Ester
• Synonyms: 2-[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chroman-3-Yl]Oxycarbonylbenzoic Acid; 2-[[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-Chromanyl]Oxy-Oxomethyl]Benzoic Acid; 1,2-Benzenedicarboxylic Acid, Mono(2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-5,7-Dihydroxy-2H-1-Benzopyran-3-Yl) Ester, (2R-Trans)-
• Molecular Formula: C₂₃H₁₈O₉
• Molecular Weight: 438.39
• CAS Registry Number: 71634-88-3
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C[C@@H]2OC(=O)C3=CC=CC=C3C(=O)O)O)O)C4=CC=C(O)C(=C4)O
• InChI: 1S/C23H18O9/c24-12-8-17(26)15-10-20(32-23(30)14-4-2-1-3-13(14)22(28)29)21(31-19(15)9-12)11-5-6-16(25)18(27)7-11/h1-9,20-21,24-27H,10H2,(H,28,29)/t20-,21+/m0/s1
• InChIKey: LYBRPYWVMBPKRQ-LEWJYISDSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Boiling point: 769.819°C at 760 mmHg (Cal.)
• Flash point: 271.861°C (Cal.)