2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Methoxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methylphenyl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 103471-64-3]

Identification

• Name: 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Methoxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methylphenyl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Methoxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methyl-Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Methoxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methyl-Phenyl]-(Carboxymethyl)Amino]Ethanoic Acid; Nitr-2
• Molecular Formula: C₃₂H₃₃N₃O₁₅
• Molecular Weight: 699.62
• CAS Registry Number: 103471-64-3
• SMILES: C2=C1OCOC1=CC(=C2C(OC)C3=CC=C(N(CC(=O)O)CC(=O)O)C(=C3)OCCOC4=CC(=CC=C4N(CC(=O)O)CC(=O)O)C)[N+]([O-])=O
• InChI: 1S/C32H33N3O15/c1-18-3-5-21(33(13-28(36)37)14-29(38)39)24(9-18)47-7-8-48-25-10-19(4-6-22(25)34(15-30(40)41)16-31(42)43)32(46-2)20-11-26-27(50-17-49-26)12-23(20)35(44)45/h3-6,9-12,32H,7-8,13-17H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)
• InChIKey: RWEFXLINOSVTFH-UHFFFAOYSA-N

Properties

• Density: 1.517g/cm³ (Cal.)
• Boiling point: 955.824°C at 760 mmHg (Cal.)
• Flash point: 531.863°C (Cal.)