nickel; 3-oxidanidylperoxysulfanyl-8-(pyrazin-2-yldiazenyl)quinolin-5-olate; 5-oxidanidyl-8-(pyridin-2-yldiazenyl)quinoline-3-sulfonate

Systemtic Name: nickel; 3-oxidanidylperoxysulfanyl-8-(pyrazin-2-yldiazenyl)quinolin-5-olate; 5-oxidanidyl-8-(pyridin-2-yldiazenyl)quinoline-3-sulfonate Openeye Name: nickel; 3-oxidoperoxysulfanyl-8-pyrazin-2-ylazo-quinolin-5-olate; 5-oxido-8-(2-pyridylazo)quinoline-3-sulfonate CAS Name: nickel; 3-(oxidodioxythio)-8-(2-pyrazinylazo)-5-quinolinolate; 5-oxido-8-(2-pyridinylazo)-3-quinolinesulfonate IUPAC Name: nickel; 3-oxidoperoxysulfanyl-8-(pyrazin-2-yldiazenyl)quinolin-5-olate; 5-oxido-8-(pyridin-2-yldiazenyl)quinoline-3-sulfonate Traditional Name: nickel; 3-(oxidoperoxythio)-8-pyrazin-2-ylazo-quinolin-5-olate; 5-oxido-8-(2-pyridylazo)quinoline-3-sulfonate Formula: C27H15N9NiO8S2-4 MolecularWeight: 716.2869

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N=NC2=C3C(=C(C=C2)[O-])C=C(C=N3)S(=O)(=O)[O-].C1=CC(=C2C=C(C=NC2=C1N=NC3=NC=CN=C3)SOO[O-])[O-].[Ni]

Isomeric SMILES

C1=CC=NC(=C1)N=NC2=C3C(=C(C=C2)[O-])C=C(C=N3)S(=O)(=O)[O-].C1=CC(=C2C=C(C=NC2=C1N=NC3=NC=CN=C3)SOO[O-])[O-].[Ni]

InChI

InChI=1S/C14H10N4O4S.C13H9N5O4S.Ni/c19-12-5-4-11(17-18-13-3-1-2-6-15-13)14-10(12)7-9(8-16-14)23(20,21)22;19-11-2-1-10(17-18-12-7-14-3-4-15-12)13-9(11)5-8(6-16-13)23-22-21-20;/h1-8,19H,(H,20,21,22);1-7,19-20H;/p-4