U7U

Summary

Name:	Mn-Mo(6)-O(24)-C(10) cluster
Synonyms:	methyl-functionalised Anderson-Evans polyoxometalate
Formula:	C10 H18 Mn Mo6 O24
Formal charge:	0
Formula weight:	1152.814 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/2C5H9O3.Mn.6Mo.18O/c21-5(2-6,3-7)4-8;;;;;;;;;;;;;;;;;;;;;;;;;/h22-4H2,1H3;;;;;;;;;;;;;;;;;;;;;;;;;/q2+6;;;;;;;;;;;;;;12-1
InChIKey	InChI	1.06	MAWUAWMKVXEIFO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)[O++]5%16CC(C)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2
SMILES	CACTVS	3.385	CC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4%13([O-])([O-])O[Mo]%14%15([O-])([O-])O[Mo]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%10)[O++]5%16CC(C)(C[O++]6%11%12)C[O++]7%13%14)[O++]8%15C2
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC12C[O+2]34[Mn]5678[O+2]9(C1)[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]3(O1)(O4)([O-])[O-])([O-])[O-])([O-])[O-])C)([O-])[O-])([O-])[O-])([O-])[O-]
SMILES	OpenEye OEToolkits	3.1.0.0	CC12C[O+2]34[Mn]5678[O+2]9(C1)[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41([O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]44([O+2]8(C2)[Mo]3(O1)(O4)([O-])[O-])([O-])[O-])([O-])[O-])C)([O-])[O-])([O-])[O-])([O-])[O-]