3-azanylchromen-2-one; palladium(2+); dithiocyanate

Systemtic Name: 3-azanylchromen-2-one; palladium(2+); dithiocyanate Openeye Name: 3-aminochromen-2-one; palladium(2+); dithiocyanate CAS Name: 3-amino-1-benzopyran-2-one; palladium(2+); dithiocyanate IUPAC Name: 3-aminochromen-2-one; palladium(2+); dithiocyanate Traditional Name: 3-aminocoumarin; palladium(2+); dithiocyanate Formula: C20H14N4O4PdS2 MolecularWeight: 544.89956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)N.C1=CC=C2C(=C1)C=C(C(=O)O2)N.C(#N)[S-].C(#N)[S-].[Pd+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)N.C1=CC=C2C(=C1)C=C(C(=O)O2)N.C(#N)[S-].C(#N)[S-].[Pd+2]

InChI

InChI=1S/2C9H7NO2.2CHNS.Pd/c2*10-7-5-6-3-1-2-4-8(6)12-9(7)11;2*2-1-3;/h2*1-5H,10H2;2*3H;/q;;;;+2/p-2