dicopper 4-nitro-2-[[piperidin-1-yl(sulfaniumylidene)methyl]azanidyliminomethyl]phenolate

Systemtic Name: dicopper 4-nitro-2-[[piperidin-1-yl(sulfaniumylidene)methyl]azanidyliminomethyl]phenolate Openeye Name: dicopper 4-nitro-2-[[1-piperidyl(sulfoniumylidene)methyl]azanidyliminomethyl]phenolate CAS Name: dicopper 4-nitro-2-[[1-piperidinyl(sulfoniumylidene)methyl]azanidyliminomethyl]phenolate IUPAC Name: dicopper 4-nitro-2-[[piperidin-1-yl(sulfoniumylidene)methyl]azanidyliminomethyl]phenolate Traditional Name: dicupric 4-nitro-2-[[piperidino(sulfoniumylidene)methyl]azanidyliminomethyl]phenolate Formula: C26H30Cu2N8O6S2+2 MolecularWeight: 741.7884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=[SH+])[N-]N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].C1CCN(CC1)C(=[SH+])[N-]N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].[Cu+2].[Cu+2]

Isomeric SMILES

C1CCN(CC1)C(=[SH+])[N-]N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].C1CCN(CC1)C(=[SH+])[N-]N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-].[Cu+2].[Cu+2]

InChI

InChI=1S/2C13H16N4O3S.2Cu/c2*18-12-5-4-11(17(19)20)8-10(12)9-14-15-13(21)16-6-2-1-3-7-16;;/h2*4-5,8-9H,1-3,6-7H2,(H2,14,15,18,21);;/q;;2*+2/p-2