gallium-68(3+); 2-[2-[[2-oxidanidyl-1-(2-oxidanidylphenyl)-2-oxidanylidene-ethyl]amino]ethylamino]-2-(2-oxidanidylphenyl)ethanoate

Systemtic Name: gallium-68(3+); 2-[2-[[2-oxidanidyl-1-(2-oxidanidylphenyl)-2-oxidanylidene-ethyl]amino]ethylamino]-2-(2-oxidanidylphenyl)ethanoate Openeye Name: gallium-68(3+); 2-[2-[[2-oxido-1-(2-oxidophenyl)-2-oxo-ethyl]amino]ethylamino]-2-(2-oxidophenyl)acetate CAS Name: gallium-68(3+); 2-[2-[[2-oxido-1-(2-oxidophenyl)-2-oxoethyl]amino]ethylamino]-2-(2-oxidophenyl)acetate IUPAC Name: gallium-68(3+); 2-[2-[[2-oxido-1-(2-oxidophenyl)-2-oxoethyl]amino]ethylamino]-2-(2-oxidophenyl)acetate Traditional Name: gallium-68(3+); 2-[2-[[2-keto-2-oxido-1-(2-oxidophenyl)ethyl]amino]ethylamino]-2-(2-oxidophenyl)acetate Formula: C18H16GaN2O6- MolecularWeight: 424.257424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)[O-])NCCNC(C2=CC=CC=C2[O-])C(=O)[O-])[O-].[Ga+3]

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)[O-])NCCNC(C2=CC=CC=C2[O-])C(=O)[O-])[O-].[68Ga+3]

InChI

InChI=1S/C18H20N2O6.Ga/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22;/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26);/q;+3/p-4/i;1-2