4-methylbenzene-1,2-dithiolate; nickel(3+); tetrahexylazanium

Systemtic Name: 4-methylbenzene-1,2-dithiolate; nickel(3+); tetrahexylazanium Openeye Name: nickelic; 4-methylbenzene-1,2-dithiolate; tetrahexylammonium CAS Name: 4-methylbenzene-1,2-dithiolate; nickel(3+); tetrahexylammonium IUPAC Name: 4-methylbenzene-1,2-dithiolate; nickel(3+); tetrahexylazanium Traditional Name: nickelic; 4-methylbenzene-1,2-dithiolate; tetrahexylammonium Formula: C38H64NNiS4 MolecularWeight: 721.87486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Ni+3]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Ni+3]

InChI

InChI=1S/C24H52N.2C7H8S2.Ni/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;2*1-5-2-3-6(8)7(9)4-5;/h5-24H2,1-4H3;2*2-4,8-9H,1H3;/q+1;;;+3/p-4