3,6-bis(chloranyl)benzene-1,2-dithiolate; nickel(3+); tetrabutylazanium

Systemtic Name: 3,6-bis(chloranyl)benzene-1,2-dithiolate; nickel(3+); tetrabutylazanium Openeye Name: nickelic; 3,6-dichlorobenzene-1,2-dithiolate; tetrabutylammonium CAS Name: 3,6-dichlorobenzene-1,2-dithiolate; nickel(3+); tetrabutylammonium IUPAC Name: 3,6-dichlorobenzene-1,2-dithiolate; nickel(3+); tetrabutylazanium Traditional Name: nickelic; 3,6-dichlorobenzene-1,2-dithiolate; tetrabutylammonium Formula: C28H40Cl4NNiS4 MolecularWeight: 719.3893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C(=C1Cl)[S-])[S-])Cl.C1=CC(=C(C(=C1Cl)[S-])[S-])Cl.[Ni+3]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C(=C1Cl)[S-])[S-])Cl.C1=CC(=C(C(=C1Cl)[S-])[S-])Cl.[Ni+3]

InChI

InChI=1S/C16H36N.2C6H4Cl2S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-3-1-2-4(8)6(10)5(3)9;/h5-16H2,1-4H3;2*1-2,9-10H;/q+1;;;+3/p-4