2-[4,7,10-Tris(Carboxymethyl)-2-[(4-Nitrophenyl)Methyl]-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid
[CAS# 123317-51-1]

Identification

• Name: 2-[4,7,10-Tris(Carboxymethyl)-2-[(4-Nitrophenyl)Methyl]-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid
• Synonyms: 2-[4,7,10-Tris(Carboxymethyl)-2-(4-Nitrobenzyl)-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid; 2-[4,7,10-Tris(Carboxymethyl)-2-[(4-Nitrophenyl)Methyl]-1,4,7,10-Tetrazacyclododec-1-Yl]Ethanoic Acid; Nitrobenzyl-Dota
• Molecular Formula: C₂₃H₃₃N₅O₁₀
• Molecular Weight: 539.54
• CAS Registry Number: 123317-51-1
• SMILES: C2=C(CC1N(CCN(CCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C=CC(=C2)[N+](=O)[O-]
• InChI: 1S/C23H33N5O10/c29-20(30)13-24-5-6-25(14-21(31)32)9-10-27(16-23(35)36)19(12-26(8-7-24)15-22(33)34)11-17-1-3-18(4-2-17)28(37)38/h1-4,19H,5-16H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
• InChIKey: SQWOBSHRAUJBNP-UHFFFAOYSA-N