A1IMF

Summary

Name:	hexavanadate (V6-OH) polyoxometalate
Formula:	C10 H18 O21 V6
Formal charge:	5
Formula weight:	779.886 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/2C5H9O4.13O.6V/c26-1-5(2-7,3-8)4-9;;;;;;;;;;;;;;;;;;;/h26H,1-4H2;;;;;;;;;;;;;;;;;;;/q2-3;;;;;;;;;;;;;-1;6+2
InChIKey	InChI	1.06	IMCCQTIVVJKDJQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2
SMILES	CACTVS	3.385	OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1C2(C[O-]3[V+2]456(=O)[O-]1[V+2]789(=O)[O-]414%10[V+2]33(=O)([O-]7C2)O[V+2]11(=O)(O5)[O-]2[V+2]4(=O)(O6)(O8)[O-]4[V+2]%10(=O)(O9)(O3)[O-]1CC(C2)(C4)CO)CO
SMILES	OpenEye OEToolkits	2.0.7	C1C2(C[O-]3[V+2]456(=O)[O-]1[V+2]789(=O)[O-]414%10[V+2]33(=O)([O-]7C2)O[V+2]11(=O)(O5)[O-]2[V+2]4(=O)(O6)(O8)[O-]4[V+2]%10(=O)(O9)(O3)[O-]1CC(C2)(C4)CO)CO