5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-oxidanyl-naphthalene-2-sulfonic acid; nickel; 2-[(2-oxidanyl-6-sulfanyloxyperoxy-naphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile

Systemtic Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-oxidanyl-naphthalene-2-sulfonic acid; nickel; 2-[(2-oxidanyl-6-sulfanyloxyperoxy-naphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile Openeye Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethyleneamino]-6-hydroxy-naphthalene-2-sulfonic acid; 2-[(2-hydroxy-6-sulfanyloxyperoxy-1-naphthyl)iminomethyleneamino]-4H-imidazole-4,5-dicarbonitrile; nickel CAS Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-hydroxy-2-naphthalenesulfonic acid; 2-[(2-hydroxy-6-mercaptooxydioxy-1-naphthalenyl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile; nickel IUPAC Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethylideneamino]-6-hydroxynaphthalene-2-sulfonic acid; 2-[(2-hydroxy-6-sulfanyloxyperoxynaphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile; nickel Traditional Name: 5-[(4,5-diisocyano-4H-imidazol-2-yl)iminomethyleneamino]-6-hydroxy-naphthalene-2-sulfonic acid; 2-[(2-hydroxy-6-mercaptooxyperoxy-1-naphthyl)iminomethyleneamino]-4H-imidazole-4,5-dicarbonitrile; nickel Formula: C32H16N12NiO8S2 MolecularWeight: 819.36844

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1C(=NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+]#[C-].C1=CC2=C(C=CC(=C2N=C=NC3=NC(C(=N3)C#N)C#N)O)C=C1OOOS.[Ni]

Isomeric SMILES

[C-]#[N+]C1C(=NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+]#[C-].C1=CC2=C(C=CC(=C2N=C=NC3=NC(C(=N3)C#N)C#N)O)C=C1OOOS.[Ni]

InChI

InChI=1S/2C16H8N6O4S.Ni/c1-17-14-15(18-2)22-16(21-14)20-8-19-13-11-5-4-10(27(24,25)26)7-9(11)3-6-12(13)23;17-6-12-13(7-18)22-16(21-12)20-8-19-15-11-3-2-10(24-25-26-27)5-9(11)1-4-14(15)23;/h3-7,14,23H,(H,24,25,26);1-5,12,23,27H;