5-[3-(2-Carboxy-4-Oxochromen-5-Yl)Oxy-2-Sulfooxypropoxy]-4-Oxochromene-2-Carboxylic Acid
[CAS# 107032-81-5]

Identification

• Name: 5-[3-(2-Carboxy-4-Oxochromen-5-Yl)Oxy-2-Sulfooxypropoxy]-4-Oxochromene-2-Carboxylic Acid
• Synonyms: 5-[3-(2-Carboxy-4-Oxo-Chromen-5-Yl)Oxy-2-Sulfooxy-Propoxy]-4-Oxo-Chromene-2-Carboxylic Acid; 5-[3-[(2-Carboxy-4-Oxo-5-Chromenyl)Oxy]-2-Sulfooxypropoxy]-4-Oxo-2-Chromenecarboxylic Acid; 5-[3-(2-Carboxy-4-Keto-Chromen-5-Yl)Oxy-2-Sulfoxy-Propoxy]-4-Keto-Chromene-2-Carboxylic Acid
• Molecular Formula: C₂₃H₁₆O₁₄S
• Molecular Weight: 548.43
• CAS Registry Number: 107032-81-5
• SMILES: C1=CC=C(C2=C1OC(=CC2=O)C(O)=O)OCC(COC3=CC=CC4=C3C(C=C(O4)C(=O)O)=O)O[S](O)(=O)=O
• InChI: 1S/C23H16O14S/c24-12-7-18(22(26)27)35-16-5-1-3-14(20(12)16)33-9-11(37-38(30,31)32)10-34-15-4-2-6-17-21(15)13(25)8-19(36-17)23(28)29/h1-8,11H,9-10H2,(H,26,27)(H,28,29)(H,30,31,32)
• InChIKey: KOMKRTNQZYEQST-UHFFFAOYSA-N

Properties

• Density: 1.736g/cm³ (Cal.)