6-bis(6-carboxypyridin-2-yl)phosphorylpyridine-2-carboxylic acid; gadolinium

Systemtic Name: 6-bis(6-carboxypyridin-2-yl)phosphorylpyridine-2-carboxylic acid; gadolinium Openeye Name: 6-[bis(6-carboxy-2-pyridyl)phosphoryl]pyridine-2-carboxylic acid; gadolinium CAS Name: 6-[bis(6-carboxy-2-pyridinyl)phosphoryl]-2-pyridinecarboxylic acid; gadolinium IUPAC Name: 6-bis(6-carboxypyridin-2-yl)phosphorylpyridine-2-carboxylic acid; gadolinium Traditional Name: 6-[bis(6-carboxy-2-pyridyl)phosphoryl]picolinic acid; gadolinium Formula: C18H12GdN3O7P MolecularWeight: 570.527541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)P(=O)(C2=CC=CC(=N2)C(=O)O)C3=CC=CC(=N3)C(=O)O)C(=O)O.[Gd]

Isomeric SMILES

C1=CC(=NC(=C1)P(=O)(C2=CC=CC(=N2)C(=O)O)C3=CC=CC(=N3)C(=O)O)C(=O)O.[Gd]

InChI

InChI=1S/C18H12N3O7P.Gd/c22-16(23)10-4-1-7-13(19-10)29(28,14-8-2-5-11(20-14)17(24)25)15-9-3-6-12(21-15)18(26)27;/h1-9H,(H,22,23)(H,24,25)(H,26,27);