2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methylphenyl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 109232-36-2]

Identification

• Name: 2-[[2-[2-[2-(Bis(Carboxymethyl)Amino)-5-[Hydroxy-(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-[Hydroxy-(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-[Hydroxy-(6-Nitro-1,3-Benzodioxol-5-Yl)Methyl]Phenoxy]Ethoxy]-4-Methyl-Phenyl]-(Carboxymethyl)Amino]Ethanoic Acid; Nitr 5
• Molecular Formula: C₃₁H₃₁N₃O₁₅
• Molecular Weight: 685.60
• CAS Registry Number: 109232-36-2
• SMILES: C1=C(C(=CC2=C1OCO2)[N+](=O)[O-])C(C3=CC(=C(N(CC(=O)O)CC(=O)O)C=C3)OCCOC4=C(N(CC(=O)O)CC(=O)O)C=CC(=C4)C)O
• InChI: 1S/C31H31N3O15/c1-17-2-4-20(32(12-27(35)36)13-28(37)38)23(8-17)46-6-7-47-24-9-18(3-5-21(24)33(14-29(39)40)15-30(41)42)31(43)19-10-25-26(49-16-48-25)11-22(19)34(44)45/h2-5,8-11,31,43H,6-7,12-16H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
• InChIKey: SQBFKIHOMAMLEJ-UHFFFAOYSA-N