ISDA: 6RKE

Structural Complex

Chemical ID: LHW

IUPAC Name: MO(10)-O(35) Cluster

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo10 O35

Molecular weight: 1519.379

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/10Mo.16H2O.19O/h;;;;;;;;;;161H2;;;;;;;;;;;;;;;;;;;/q4+1;6+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3+1;+2/p-16
InChIKey	InChI	1.06	QLJDKXQFXYWLGK-UHFFFAOYSA-A
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]23O[Mo]45O[Mo]67O[Mo]89O[Mo]%10%11O[Mo]1%12O[Mo]%13%14(O2)O[Mo]%15(O4)(O6)O[Mo](O%10)(O8)(O%13)[O++]%14%15[Mo]([O+]35)([O+]%11%12)[O+]79
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]23O[Mo]45O[Mo]67O[Mo]89O[Mo]%10%11O[Mo]1%12O[Mo]%13%14(O2)O[Mo]%15(O4)(O6)O[Mo](O%10)(O8)(O%13)[O++]%14%15[Mo]([O+]35)([O+]%11%12)[O+]79
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	[O][Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	[O][Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O]