Tetrabutylammoniumdecatungstate

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CAS Number

68109-03-5

Molecular Formula

C16H36NO32W10 (-3)

Molecular Weight

2592.84

Chemical Information

Tetrakis(tetrabutylammonium) decatungstate

CAS Number	68109-03-5
PubChem CID	162343862
IUPAC Name	bis(dioxido(dioxo)tungsten);tetrakis(tetrabutylazanium)
Molecular Formula	C64H144N4O8W2
Molecular Weight	1465.5
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	48
Heavy Atom Count	78
Formal Charge	0
Complexity	178

SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-]

InChI

InChI=1S/4C16H36N.8O.2W/c4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;;;;;;/h4*5-16H2,1-4H3;;;;;;;;;;/q4*+1;;;;;4*-1;;

InChIKey

MTUFIVJNZGDRJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68109-03-5

CID: 162343862

Formula: C64H144N4O8W2

MW: 1465.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	1465.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	48
Exact Mass	1467.00372
Monoisotopic Mass	1465.00028
Topological Polar Surface Area	161 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	178
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	6
Compound Is Canonicalized	Yes