ISDA: 6HWR

Structural Complex

Chemical ID: VV6

IUPAC Name: [[[[bis($l^{1}-oxidanyl)-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-$l^{1}-oxidanyl-vanadio]oxy-tetrakis($l^{1}-oxidanyl)vanadium

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: O17 V6

Molecular weight: 577.639

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/12H2O.5O.6V/h121H2;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;+1;2+2;+3;+4/p-12
InChIKey	InChI	1.06	JXGHONBPQWTYGF-UHFFFAOYSA-B
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]O[V].[V]O[V]O[V]=O
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V]O[V].[V]O[V]O[V]=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	O=[V](O[V]([O])O[V]([O])([O])([O])[O])[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	O=[V](O[V]([O])O[V]([O])([O])([O])[O])[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O]

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