ISDA: 7Z5J

Structural Complex

Chemical ID: WO3

IUPAC Name: TRI-TUNGSTEN(VI) OXIDE COMPLEX

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: O13 W3

Molecular weight: 759.512

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	1,3,5-tris($l^{1}-oxidanyl)-2,4,6$l^{3},7-tetraoxa-1$l^{8},3$l^{8},5$l^{8}-tritungstatricyclo[3.1.1.0^{3,6}]heptane 1,1,3,3,5,5-hexaoxide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/3H2O.10O.3W/h31H2;;;;;;;;;;;;;/q;;;;;;;;;;;;;3+1/p-3
InChIKey	InChI	1.06	VJNFZGNNYLNJQS-UHFFFAOYSA-K
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O=[W]1(=O)O[W]2(=O)(=O)O[W](=O)(=O)(O1)O2
SMILES	CACTVS	3.385	O.O.O.O=[W]1(=O)O[W]2(=O)(=O)O[W](=O)(=O)(O1)O2
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	O=[W]12(=O)(O[W]3(=O)(=O)(O1[W](=O)(=O)(O2)(O3)[O])[O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	O=[W]12(=O)(O[W]3(=O)(=O)(O1[W](=O)(=O)(O2)(O3)[O])[O])[O]