2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; platinum(2+); quinoxaline-2,3-dithiolate

Systemtic Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; platinum(2+); quinoxaline-2,3-dithiolate Openeye Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid; platinum(2+); quinoxaline-2,3-dithiolate CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid; platinum(2+); quinoxaline-2,3-dithiolate IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid; platinum(2+); quinoxaline-2,3-dithiolate Traditional Name: 2-(4-carboxy-2-pyridyl)isonicotinic acid; platinum(2+); quinoxaline-2,3-dithiolate Formula: C20H12N4O4PtS2 MolecularWeight: 631.54168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)[S-])[S-].C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Pt+2]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)[S-])[S-].C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.[Pt+2]

InChI

InChI=1S/C12H8N2O4.C8H6N2S2.Pt/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;11-7-8(12)10-6-4-2-1-3-5(6)9-7;/h1-6H,(H,15,16)(H,17,18);1-4H,(H,9,11)(H,10,12);/q;;+2/p-2