2,6-bis(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+)

Systemtic Name: 2,6-bis(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+) Openeye Name: 2,6-bis(4-carboxylato-2-pyridyl)pyridine-4-carboxylate; ruthenium(2+) CAS Name: 2,6-bis(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate; ruthenium(2+) IUPAC Name: 2,6-bis(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+) Traditional Name: 2,6-bis(4-carboxylato-2-pyridyl)isonicotinate; ruthenium(2+) Formula: C36H16N6O12Ru3 MolecularWeight: 1027.75524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)[O-])C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)[O-])C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)[O-])C(=O)[O-].[Ru+2].[Ru+2].[Ru+2]

Isomeric SMILES

C1=CN=C(C=C1C(=O)[O-])C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)[O-])C(=O)[O-].C1=CN=C(C=C1C(=O)[O-])C2=CC(=CC(=N2)C3=NC=CC(=C3)C(=O)[O-])C(=O)[O-].[Ru+2].[Ru+2].[Ru+2]

InChI

InChI=1S/2C18H11N3O6.3Ru/c2*22-16(23)9-1-3-19-12(5-9)14-7-11(18(26)27)8-15(21-14)13-6-10(17(24)25)2-4-20-13;;;/h2*1-8H,(H,22,23)(H,24,25)(H,26,27);;;/q;;3*+2/p-6