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

Systemtic Name: gadolinium(3+); 2-[7-[1-[[2-[2-(3-methoxynaphthalen-2-yl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]-4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: gadolinium(3+); 2-[7-[2-[[2-[2-(3-methoxynaphthalene-2-carbonyl)hydrazino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-4,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: gadolinium(3+); 2-[7-[1-[[2-[[(3-methoxy-2-naphthalenyl)-oxomethyl]hydrazo]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate IUPAC Name: gadolinium(3+); 2-[7-[1-[[2-[2-(3-methoxynaphthalene-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-4,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: gadolinium(3+); 2-[7-[2-keto-2-[[2-keto-2-[N'-(3-methoxy-2-naphthoyl)hydrazino]ethyl]amino]-1-methyl-ethyl]-4,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C31H40GdN7O10 MolecularWeight: 827.9402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NNC(=O)C1=CC2=CC=CC=C2C=C1OC)N3CCN(CCN(CCN(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

CC(C(=O)NCC(=O)NNC(=O)C1=CC2=CC=CC=C2C=C1OC)N3CCN(CCN(CCN(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C31H43N7O10.Gd/c1-21(30(46)32-17-26(39)33-34-31(47)24-15-22-5-3-4-6-23(22)16-25(24)48-2)38-13-11-36(19-28(42)43)9-7-35(18-27(40)41)8-10-37(12-14-38)20-29(44)45;/h3-6,15-16,21H,7-14,17-20H2,1-2H3,(H,32,46)(H,33,39)(H,34,47)(H,40,41)(H,42,43)(H,44,45);/q;+3/p-3