ISDA: 1rxs

Structural Complex

Chemical ID: V7O

IUPAC Name: META VANADATE

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: O19 V7

Molecular weight: 660.579

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	[(bis($l^{1}-oxidanyl)-oxidanylidene-vanadio)-($l^{1}-oxidanyl(oxidanylidene)vanadio)-$l^{3}-oxidanyl]-[[[(bis($l^{1}-oxidanyl)-oxidanylidene-vanadio)-($l^{1}-oxidanyl(oxidanylidene)vanadio)-$l^{3}-oxidanyl]-oxidanylidene-vanadio]oxy-$l^{1}-oxidanyl-oxidanylidene-vanadio]oxy-$l^{1}-oxidanyl-oxidanylidene-vanadium

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/8H2O.11O.7V/h81H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;4+1;2*+2/p-8
InChIKey	InChI	1.06	JNCUEONMKNYJBV-UHFFFAOYSA-F
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.O.O.O.O=[V].O=[V]O[V]=O.O=[V]O[V](=O)O[V](=O)O[V]=O
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O=[V].O=[V]O[V]=O.O=[V]O[V](=O)O[V](=O)O[V]=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	O=[V]([O])O([V](=O)O[V](=O)([O])O[V](=O)([O])O([V](=O)[O])[V](=O)([O])[O])[V](=O)([O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	O=[V]([O])O([V](=O)O[V](=O)([O])O[V](=O)([O])O([V](=O)[O])[V](=O)([O])[O])[V](=O)([O])[O]