2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+)

Systemtic Name: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+) Openeye Name: 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate; ruthenium(2+) CAS Name: 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate; ruthenium(2+) IUPAC Name: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+) Traditional Name: 2-(4-carboxylato-2-pyridyl)isonicotinate; ruthenium(2+) Formula: C36H18N6O12Ru3 MolecularWeight: 1029.77112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].[Ru+2].[Ru+2].[Ru+2]

Isomeric SMILES

C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].[Ru+2].[Ru+2].[Ru+2]

InChI

InChI=1S/3C12H8N2O4.3Ru/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h3*1-6H,(H,15,16)(H,17,18);;;/q;;;3*+2/p-6