ISDA: 4BVP

Structural Complex

Chemical ID: MO7

IUPAC Name: bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI)

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo7 O24

Molecular weight: 1055.566

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/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;6*-1
InChIKey	InChI	1.03	CFQDGBTUZUJXQE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	[O-][Mo]123(=O)\|O4[Mo]\|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O\|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
SMILES	CACTVS	3.370	[O-][Mo]123(=O)\|O4[Mo]\|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O\|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]
SMILES	OpenEye OEToolkits	1.7.6	[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]