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gadolinium(3+); 2-[7-[1-[[2-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decoxy]ethyl-(2-methoxyethyl)amino]-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
gadolinium(3+); 2-[7-[1-[[2-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decoxy]ethyl-(2-methoxyethyl)amino]-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
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Canonical SMILES:
CC(C(=O)NCC(=O)N(CCOC)CCOCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
Isomeric SMILES
CC(C(=O)NCC(=O)N(CCOC)CCOCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChI
InChI=1S/C34H47F17N6O10.Gd/c1-21(56-10-8-54(19-24(61)62)6-4-53(18-23(59)60)5-7-55(9-11-56)20-25(63)64)26(65)52-17-22(58)57(12-15-66-2)13-16-67-14-3-27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51;/h21H,3-20H2,1-2H3,(H,52,65)(H,59,60)(H,61,62)(H,63,64);/q;+3/p-3
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