MOLI000462

Molecular Formula: C29H53GdN3O10+3


InChI: InChI=1/C29H53N3O10.Gd/c1-2-3-4-5-6-7-8-9-10-11-12-14-29(41)42-20-13-15-30(16-18-31(21-25(33)34)22-26(35)36)17-19-32(23-27(37)38)24-28(39)40;/h2-24H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40);/q;+3/f/h33,35,37,39H;

InChIKey: InChIKey=CCSXNSSPWDNRES-APIXZNJNCR
SMILES: CCCCCCCCCCCCCC(=O)OCCCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000462
    2-[2-[2-(bis(carboxymethyl)amino)ethyl-(3-tetradecanoyloxypropyl)amino]ethyl-(carboxymethyl)amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450065
    PubChem ID 451