nickel(2+); 2-(2-sulfanidylphenyl)sulfanylbenzenethiolate; tetrabutylazanium; cyanate

Systemtic Name: nickel(2+); 2-(2-sulfanidylphenyl)sulfanylbenzenethiolate; tetrabutylazanium; cyanate Openeye Name: nickelous; 2-(2-sulfidophenyl)sulfanylbenzenethiolate; tetrabutylammonium; cyanate CAS Name: nickel(2+); 2-[(2-sulfidophenyl)thio]benzenethiolate; tetrabutylammonium; cyanate IUPAC Name: nickel(2+); 2-(2-sulfidophenyl)sulfanylbenzenethiolate; tetrabutylazanium; cyanate Traditional Name: nickelous; 2-[(2-sulfidophenyl)thio]benzenethiolate; tetrabutylammonium; cyanate Formula: C29H44N2NiOS3 MolecularWeight: 591.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)[S-])SC2=CC=CC=C2[S-].C(#N)[O-].[Ni+2]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)[S-])SC2=CC=CC=C2[S-].C(#N)[O-].[Ni+2]

InChI

InChI=1S/C16H36N.C12H10S3.CHNO.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;2-1-3;/h5-16H2,1-4H3;1-8,13-14H;3H;/q+1;;;+2/p-3