GX2

Mo14O47 cluster

Created: 2018-10-26
Last modified:  2018-11-14

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Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count0
Bond Count94
Aromatic Bond Count0
2D diagram of GX2
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Chemical Component Summary

NameMo14O47 cluster
FormulaH17 Mo14 O47
Molecular Weight2,112.267
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O)(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15(O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O%13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%15)(O9)O[Mo](O)(O)(O%11)(O%14)O%17
SMILESOpenEye OEToolkits2.0.7O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O
Canonical SMILESCACTVS3.385 O[Mo]12O[Mo]345O[Mo]6(O)(O)(O3)O[Mo]78(O1)O[Mo]9(O)(O)(O7)O[Mo]%10%11(O2)O[Mo](O)(O)(O4)(O%10)O[Mo]%12%13%14(O)O[Mo]%15(O)O[Mo]%16(O)(O6)(O[Mo](O)(O)(O5)(O%12)O%13)O[Mo](O)(O)(O8)(O%16)O[Mo]%17(O)(O%15)(O9)O[Mo](O)(O)(O%11)(O%14)O%17
Canonical SMILESOpenEye OEToolkits2.0.7 O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O
InChIInChI1.03 InChI=1S/14Mo.17H2O.30O/h;;;;;;;;;;;;;;17*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;5*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-17
InChIKeyInChI1.03 CTEDOAJRLHQTLF-UHFFFAOYSA-A