2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[6-(Bis(Carboxymethyl)Amino)-2,3-Difluorophenoxy]Ethoxy]-2-Benzofuran-1-Yl]-1,3-Oxazole-5-Carboxylic Acid
[CAS# 156638-57-2]

Identification

• Name: 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[6-(Bis(Carboxymethyl)Amino)-2,3-Difluorophenoxy]Ethoxy]-2-Benzofuran-1-Yl]-1,3-Oxazole-5-Carboxylic Acid
• Synonyms: 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[6-(Bis(Carboxymethyl)Amino)-2,3-Difluoro-Phenoxy]Ethoxy]Isobenzofuran-1-Yl]Oxazole-5-Carboxylic Acid; 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[6-(Bis(Carboxymethyl)Amino)-2,3-Difluorophenoxy]Ethoxy]-1-Isobenzofuranyl]-5-Oxazolecarboxylic Acid; 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[6-(Bis(Carboxymethyl)Amino)-2,3-Difluoro-Phenoxy]Ethoxy]-2-Benzofuran-1-Yl]-1,3-Oxazole-5-Carboxylic Acid
• Molecular Formula: C₂₈H₂₃F₂N₃O₁₄
• Molecular Weight: 663.50
• CAS Registry Number: 156638-57-2
• SMILES: C1=C(N(CC(O)=O)CC(O)=O)C(=CC2=COC(=C12)C3=NC=C(O3)C(O)=O)OCCOC4=C(N(CC(O)=O)CC(O)=O)C=CC(=C4F)F
• InChI: 1S/C28H23F2N3O14/c29-15-1-2-16(32(8-20(34)35)9-21(36)37)26(24(15)30)45-4-3-44-18-5-13-12-46-25(27-31-7-19(47-27)28(42)43)14(13)6-17(18)33(10-22(38)39)11-23(40)41/h1-2,5-7,12H,3-4,8-11H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)
• InChIKey: AXYZJTJJEMZULU-UHFFFAOYSA-N

Properties

• Density: 1.667g/cm³ (Cal.)
• Boiling point: 997.644°C at 760 mmHg (Cal.)
• Flash point: 557.155°C (Cal.)