gadolinium(3+); 2-[4-[2-[[2-[2-(3-methoxynaphthalen-2-yl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]amino]-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-[2-(3-methoxynaphthalen-2-yl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]amino]-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-[2-(3-methoxynaphthalene-2-carbonyl)hydrazino]-2-oxo-ethyl]amino]-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-[[(3-methoxy-2-naphthalenyl)-oxomethyl]hydrazo]-2-oxoethyl]amino]-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-[2-(3-methoxynaphthalene-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-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-keto-2-[N'-(3-methoxy-2-naphthoyl)hydrazino]ethyl]amino]ethyl]-7,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Formula: C30H38GdN7O10 MolecularWeight: 813.91362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NNC(=O)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NNC(=O)CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C30H41N7O10.Gd/c1-47-24-15-22-5-3-2-4-21(22)14-23(24)30(46)33-32-25(38)16-31-26(39)17-34-6-8-35(18-27(40)41)10-12-37(20-29(44)45)13-11-36(9-7-34)19-28(42)43;/h2-5,14-15H,6-13,16-20H2,1H3,(H,31,39)(H,32,38)(H,33,46)(H,40,41)(H,42,43)(H,44,45);/q;+3/p-3