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gadolinium(3+); 2-[7-[1-[[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosakis(fluoranyl)tridecyl-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl]-methyl-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-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosakis(fluoranyl)tridecyl-(2-methoxyethyl)amino]-2-oxidanylidene-ethyl]-methyl-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)N(C)CC(=O)N(CCOC)C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)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)N(C)CC(=O)N(CCOC)C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)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/C36H41F27N6O9.Gd/c1-18(68-10-8-66(16-21(73)74)6-4-65(15-20(71)72)5-7-67(9-11-68)17-22(75)76)23(77)64(2)14-19(70)69(12-13-78-3)36(62,63)34(57,58)32(53,54)30(49,50)28(45,46)26(41,42)24(37,38)25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)35(59,60)61;/h18H,4-17H2,1-3H3,(H,71,72)(H,73,74)(H,75,76);/q;+3/p-3
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