gadolinium(3+); 2-[4-octadecyl-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: gadolinium(3+); 2-[4-octadecyl-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: gadolinium(3+); 2-[4-octadecyl-7,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: gadolinium(3+); 2-[4-octadecyl-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: gadolinium(3+); 2-[4-octadecyl-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4,7-bis(2-keto-2-oxido-ethyl)-10-stearyl-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(3+) Formula: C32H59GdN4O6 MolecularWeight: 753.08406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C32H62N4O6.Gd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-19-21-34(27-30(37)38)23-25-36(29-32(41)42)26-24-35(22-20-33)28-31(39)40;/h2-29H2,1H3,(H,37,38)(H,39,40)(H,41,42);/q;+3/p-3