[(2,4-dinitrophenyl)amino]-sulfaniumylidene-methanethiolate; nickel(2+)

Systemtic Name: [(2,4-dinitrophenyl)amino]-sulfaniumylidene-methanethiolate; nickel(2+) Openeye Name: nickelous (2,4-dinitroanilino)-sulfoniumylidene-methanethiolate CAS Name: (2,4-dinitroanilino)-sulfoniumylidenemethanethiolate; nickel(2+) IUPAC Name: (2,4-dinitroanilino)-sulfoniumylidenemethanethiolate; nickel(2+) Traditional Name: nickelous (2,4-dinitroanilino)-sulfoniumylidene-methanethiolate Formula: C14H10N6NiO8S4+2 MolecularWeight: 577.218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=[SH+])[S-].C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=[SH+])[S-].[Ni+2]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=[SH+])[S-].C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=[SH+])[S-].[Ni+2]

InChI

InChI=1S/2C7H5N3O4S2.Ni/c2*11-9(12)4-1-2-5(8-7(15)16)6(3-4)10(13)14;/h2*1-3H,(H2,8,15,16);/q;;+2