MOLI000449
Molecular Formula:
C18H33GdN3O9+3
InChI: InChI=1/C18H33N3O9.Gd/c22-16(23)13-19-1-7-28-9-3-20(14-17(24)25)5-11-30-12-6-21(15-18(26)27)4-10-29-8-2-19;/h1-15H2,(H,22,23)(H,24,25)(H,26,27);/q;+3/f/h22,24,26H;
InChIKey: InChIKey=HQZPCBTWYRQVRC-SEHZOMJNCT
SMILES: C1COCCN(CCOCCN(CCOCCN1CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000449
2-[10,16-bis(carboxymethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450053
PubChem ID 438
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