ISDA: 6GX4

Structural Complex

Chemical ID: FUQ

IUPAC Name: Mo5 Cluster

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo5 O25

Molecular weight: 879.685

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	2,2,2,2,4,4,4,4,6,6,6,6,8,8,8,8,10,10,10,10-icosakis($l^{1}-oxidanyl)-1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/5Mo.20H2O.5O/h;;;;;201H2;;;;;/q5+4;;;;;;;;;;;;;;;;;;;;;;;;;/p-20
InChIKey	InChI	1.06	KKTGFJKWMBVMER-UHFFFAOYSA-A
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]O[Mo]O[Mo]O[Mo]1
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]O[Mo]O[Mo]O[Mo]1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	[O][Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	[O][Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])[O]