2-(4-carboxylatopyridin-2-yl)-3,5-dithiocyanato-pyridine-4-carboxylate; ruthenium(2+)

Systemtic Name: 2-(4-carboxylatopyridin-2-yl)-3,5-dithiocyanato-pyridine-4-carboxylate; ruthenium(2+) Openeye Name: 2-(4-carboxylato-2-pyridyl)-3,5-dithiocyanato-pyridine-4-carboxylate; ruthenium(2+) CAS Name: 2-(4-carboxylato-2-pyridinyl)-3,5-dithiocyanato-4-pyridinecarboxylate; ruthenium(2+) IUPAC Name: 2-(4-carboxylatopyridin-2-yl)-3,5-dithiocyanatopyridine-4-carboxylate; ruthenium(2+) Traditional Name: 2-(4-carboxylato-2-pyridyl)-3,5-dithiocyanato-isonicotinate; ruthenium(2+) Formula: C28H8N8O8RuS4-2 MolecularWeight: 813.74192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)[O-])C2=NC=C(C(=C2SC#N)C(=O)[O-])SC#N.C1=CN=C(C=C1C(=O)[O-])C2=NC=C(C(=C2SC#N)C(=O)[O-])SC#N.[Ru+2]

Isomeric SMILES

C1=CN=C(C=C1C(=O)[O-])C2=NC=C(C(=C2SC#N)C(=O)[O-])SC#N.C1=CN=C(C=C1C(=O)[O-])C2=NC=C(C(=C2SC#N)C(=O)[O-])SC#N.[Ru+2]

InChI

InChI=1S/2C14H6N4O4S2.Ru/c2*15-5-23-9-4-18-11(12(24-6-16)10(9)14(21)22)8-3-7(13(19)20)1-2-17-8;/h2*1-4H,(H,19,20)(H,21,22);/q;;+2/p-4