ISDA: 4BVP

Structural Complex

Chemical ID: 8M0

IUPAC Name: bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI)

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: Mo8 O28

Molecular weight: 1215.503

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.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*-1
InChIKey	InChI	1.03	GSOSAILZTJNYOK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[O-][Mo]\|123(=O)O[Mo]\|45([O-])(=O)O[Mo]678([O-])O\|1[Mo]([O-])(=O)(=O)(O2)\|O6[Mo]9%10([O-])(=O)O[Mo]%11%12([O-])(O\|4[Mo]\|%13([O-])(=O)(=O)O[Mo]([O-])(=O)(O%11\|%13)(O9)[O]7%10%12)[O]358
SMILES	CACTVS	3.385	[O-][Mo]\|123(=O)O[Mo]\|45([O-])(=O)O[Mo]678([O-])O\|1[Mo]([O-])(=O)(=O)(O2)\|O6[Mo]9%10([O-])(=O)O[Mo]%11%12([O-])(O\|4[Mo]\|%13([O-])(=O)(=O)O[Mo]([O-])(=O)(O%11\|%13)(O9)[O]7%10%12)[O]358
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]
SMILES	OpenEye OEToolkits	1.7.6	[O-][Mo]12(=O)(=O)O[Mo]34(=O)(O1[Mo]567(O2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)(O2[Mo]11(O36[Mo](=O)(O51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]