ISDA: 4F6T

Structural Complex

Chemical ID: 6M0

IUPAC Name: MO(6)-O(26) Cluster

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo6 O26

Molecular weight: 991.624

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	1,3,3,3,5,5,5,7,7,7,9,9,9,11,11,11-hexadecakis($l^{1}-oxidanyl)-2,4,6,8,10,12,13,14,15,16-decaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6}-hexamolybdapentacyclo[5.5.1.1^{1,5}.1^{1,9}.1^{3,11}]hexadecane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/6Mo.16H2O.10O/h;;;;;;161H2;;;;;;;;;;/q+1;5+3;;;;;;;;;;;;;;;;;;;;;;;;;;/p-16
InChIKey	InChI	1.06	UUEUEGBLXCACIR-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]2O[Mo]3O[Mo]4O[Mo]5O[Mo]1O[Mo](O2)(O3)(O5)O4
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]2O[Mo]3O[Mo]4O[Mo]5O[Mo]1O[Mo](O2)(O3)(O5)O4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	[O][Mo]12(O[Mo]3(O[Mo]4(O[Mo]5(O[Mo](O1)(O[Mo](O2)(O3)(O4)(O5)[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])[O]
SMILES	OpenEye OEToolkits	3.1.0.0	[O][Mo]12(O[Mo]3(O[Mo]4(O[Mo]5(O[Mo](O1)(O[Mo](O2)(O3)(O4)(O5)[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])([O])[O])([O])[O]