sodium; gadolinium(3+); 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]ethanoate

Systemtic Name: sodium; gadolinium(3+); 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]ethanoate Openeye Name: sodium; 2-[(2-anilino-2-oxo-ethyl)-(2-oxido-2-oxo-ethyl)amino]acetate; gadolinium(3+) CAS Name: sodium; 2-[(2-anilino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]acetate; gadolinium(3+) IUPAC Name: sodium; 2-[(2-anilino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]acetate; gadolinium(3+) Traditional Name: sodium; 2-[(2-anilino-2-keto-ethyl)-(2-keto-2-oxido-ethyl)amino]acetate; gadolinium(3+) Formula: C24H24GdN4NaO10 MolecularWeight: 708.70793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN(CC(=O)[O-])CC(=O)[O-].C1=CC=C(C=C1)NC(=O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Gd+3]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN(CC(=O)[O-])CC(=O)[O-].C1=CC=C(C=C1)NC(=O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Gd+3]

InChI

InChI=1S/2C12H14N2O5.Gd.Na/c2*15-10(13-9-4-2-1-3-5-9)6-14(7-11(16)17)8-12(18)19;;/h2*1-5H,6-8H2,(H,13,15)(H,16,17)(H,18,19);;/q;;+3;+1/p-4