Tetrabutylammonium bis(1,2,4-trichloro-5,6-dithiolate)nickel(III)

Catalog Number	ACM87314123-2
CAS	87314-12-3
Structure
Synonyms	Tetrabutylammonium bis(3,4,6-trichloro-1,2-benzene-dithiolato)nickelate
Molecular Weight	788.28
Molecular Formula	C28H38Cl6NNiS4
Canonical SMILES	CCCC[N+](CCCC)(CCCC)CCCC.C1=C(C(=C(C(=C1Cl)Cl)[S-])[S-])Cl.C1=C(C(=C(C(=C1Cl)Cl)[S-])[S-])Cl.[Ni+3]
InChI	InChI=1S/C16H36N.2C6H3Cl3S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*7-2-1-3(8)5(10)6(11)4(2)9;/h5-16H2,1-4H3;2*1,10-11H;/q+1;+3/p-4
InChI Key	WIBIOFAUOGMVAE-UHFFFAOYSA-J
Purity	98%
Complexity	442
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	785.934218
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	783.937168
Rotatable Bond Count	12
Topological Polar Surface Area	4 Ų