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

Systemtic Name: gadolinium(3+); 2-[4-[2-[2-(4-nitrophenyl)ethylamino]-2-oxidanylidene-ethyl]-7,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: gadolinium(3+); 2-[4-[2-[2-(4-nitrophenyl)ethylamino]-2-oxo-ethyl]-7,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: gadolinium(3+); 2-[4-[2-[2-(4-nitrophenyl)ethylamino]-2-oxoethyl]-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: gadolinium(3+); 2-[4-[2-[2-(4-nitrophenyl)ethylamino]-2-oxoethyl]-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: gadolinium(3+); 2-[4-[2-keto-2-[2-(4-nitrophenyl)ethylamino]ethyl]-7,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C24H33GdN6O9 MolecularWeight: 706.80362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)NCCC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C24H36N6O9.Gd/c31-21(25-6-5-19-1-3-20(4-2-19)30(38)39)15-26-7-9-27(16-22(32)33)11-13-29(18-24(36)37)14-12-28(10-8-26)17-23(34)35;/h1-4H,5-18H2,(H,25,31)(H,32,33)(H,34,35)(H,36,37);/q;+3/p-3