ISDA: 6H8B

Structural Complex

Chemical ID: J8B

IUPAC Name: Molybdate cluster

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo8 O26

Molecular weight: 1183.504

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/8Mo.14H2O.12O/h;;;;;;;;141H2;;;;;;;;;;;;/q2+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14
InChIKey	InChI	1.03	VDJFCWAFEZEUOL-UHFFFAOYSA-A
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]
SMILES	OpenEye OEToolkits	2.0.7	[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]