MOLI000058
Molecular Formula:
C34H35GdN4O6
InChI: InChI=1/C34H38N4O6.Gd/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);/q;+3/p-3/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/fC34H35N4O6.Gd/h41H;/q-3;m
InChIKey: InChIKey=RCLJFCDSGAUEOI-NGSRGCTIDS
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C(=C3CCC(=O)[O-])C)CCC(=O)O.[Gd+3]
Names:
MOLI000058
Registries:
PubChem CID 449678
PubChem ID 54
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