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 |
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Molecular Structure |
![CAS#: 123317-51-1, 2-[4,7,10-Tris(Carboxymethyl)-2-[(4-Nitrophenyl)Methyl]-1,4,7,10-Tetrazacyclododec-1-Yl]Acetic Acid](/moreStructures/123317-51-1.gif) |
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 |
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