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

Systemtic Name: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); hexafluorophosphate Openeye Name: 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate; ruthenium(2+); hexafluorophosphate CAS Name: 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate; ruthenium(2+); hexafluorophosphate IUPAC Name: 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; ruthenium(2+); hexafluorophosphate Traditional Name: 2-(4-carboxylato-2-pyridyl)isonicotinate; ruthenium(2+); hexafluorophosphate Formula: C36H18F6N6O12PRu-5 MolecularWeight: 972.5953

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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-].F[P-](F)(F)(F)(F)F.[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-].F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/3C12H8N2O4.F6P.Ru/c3*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-7(2,3,4,5)6;/h3*1-6H,(H,15,16)(H,17,18);;/q;;;-1;+2/p-6