nickel; 2-oxidanyl-4-oxidanylidene-3-sulfanylidene-cyclobutene-1-thiolate; 1,10-phenanthroline-1,10-diide

Systemtic Name: nickel; 2-oxidanyl-4-oxidanylidene-3-sulfanylidene-cyclobutene-1-thiolate; 1,10-phenanthroline-1,10-diide Openeye Name: 2-hydroxy-4-oxo-3-thioxo-cyclobutene-1-thiolate; nickel; 1,10-phenanthroline-1,10-diide CAS Name: 2-hydroxy-4-oxo-3-sulfanylidene-1-cyclobutenethiolate; nickel; 1,10-phenanthroline-1,10-diide IUPAC Name: 2-hydroxy-4-oxo-3-sulfanylidenecyclobutene-1-thiolate; nickel; 1,10-phenanthroline-1,10-diide Traditional Name: 2-hydroxy-4-keto-3-thioxo-cyclobutene-1-thiolate; nickel; 1,10-phenanthroline-1,10-diide Formula: C28H17N4NiO2S2-5 MolecularWeight: 564.28358

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1(=C(C(=O)C1=S)[S-])O.[Ni]

Isomeric SMILES

C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1(=C(C(=O)C1=S)[S-])O.[Ni]

InChI

InChI=1S/2C12H8N2.C4H2O2S2.Ni/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-1-3(7)2(6)4(1)8;/h2*1-8H;5,7H;/q2*-2;;/p-1