2-[6-(Bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methyl-phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
[CAS# 96314-98-6]

Identification

• Name: 2-[6-(Bis(carboxymethyl)amino)-5-[2-[2-(bis(carboxymethyl)amino)-5-methyl-phenoxy]ethoxy]-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
• Synonyms: 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methyl-Phenoxy]Ethoxy]Benzofuran-2-Yl]Oxazole-5-Carboxylic Acid; 2-[6-(Bis(Carboxymethyl)Amino)-5-[2-[2-(Bis(Carboxymethyl)Amino)-5-Methylphenoxy]Ethoxy]-2-Benzofuranyl]-5-Oxazolecarboxylic
• Molecular Formula: C₂₉H₂₇N₃O₁₄
• Molecular Weight: 641.54
• CAS Registry Number: 96314-98-6
• SMILES: C1=C(C(=CC2=C1OC(=C2)C3=NC=C(O3)C(=O)O)OCCOC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)C)N(CC(=O)O)CC(=O)O
• InChI: 1S/C29H27N3O14/c1-15-2-3-17(31(11-24(33)34)12-25(35)36)20(6-15)43-4-5-44-21-7-16-8-22(28-30-10-23(46-28)29(41)42)45-19(16)9-18(21)32(13-26(37)38)14-27(39)40/h2-3,6-10H,4-5,11-14H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)
• InChIKey: YFHXZQPUBCBNIP-UHFFFAOYSA-N