trisodium; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; pentane-2,4-diol; ruthenium

Systemtic Name: trisodium; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; pentane-2,4-diol; ruthenium Openeye Name: trisodium; 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate; pentane-2,4-diol; ruthenium CAS Name: trisodium; 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate; pentane-2,4-diol; ruthenium IUPAC Name: trisodium; 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate; pentane-2,4-diol; ruthenium Traditional Name: trisodium; 2-(4-carboxylato-2-pyridyl)isonicotinate; pentane-2,4-diol; ruthenium Formula: C29H24N4Na3O10Ru- MolecularWeight: 758.56097

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(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-].[Na+].[Na+].[Na+].[Ru]

Isomeric SMILES

CC(CC(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-].[Na+].[Na+].[Na+].[Ru]

InChI

InChI=1S/2C12H8N2O4.C5H12O2.3Na.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;1-4(6)3-5(2)7;;;;/h2*1-6H,(H,15,16)(H,17,18);4-7H,3H2,1-2H3;;;;/q;;;3*+1;/p-4