IWZ
W10-O37 cluster
Created: | 2022-04-14 |
Last modified: | 2022-08-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 60 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | W10-O37 cluster |
Systematic Name (OpenEye OEToolkits) | 1,1,3,3,5,7,7,9,9,9,11,11,13,13,15,15,17,19-octadecakis($l^{1}-oxidanyl)-2$l^{3},4,6,8$l^{3},10$l^{3},12,14,16,18$l^{3},20,21,22,23,24,25,26,27,28,29-nonadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6},17$l^{6},19$l^{6}-decatungstatetradecacyclo[9.9.1.1^{1,3}.1^{3,7}.1^{5,17}.1^{5,19}.1^{7,15}.1^{11,19}.1^{13,17}.1^{17,19}.0^{2,9}.0^{5,18}.0^{8,15}.0^{10,13}]nonacosane |
Formula | O37 W10 |
Molecular Weight | 2,430.378 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]4O[W]15O[W]6O[W]78O[W]9(O6)O[W]%10(O4)(O5)O[W](O2)(O9)(O[W](O3)(O7)O8)O%10 |
SMILES | OpenEye OEToolkits | 2.0.7 | [O][W]12(O3[W]45(O[W]36(O[W]78(O1[W]9(O7)(O[W]13(O2[W](O1)(O4)(O[W]12(O5)(O[W]4(O6)(O8)(O1[W](O3)(O9)(O2)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
Canonical SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[W]O[W]23O[W]4O[W]15O[W]6O[W]78O[W]9(O6)O[W]%10(O4)(O5)O[W](O2)(O9)(O[W](O3)(O7)O8)O%10 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | [O][W]12(O3[W]45(O[W]36(O[W]78(O1[W]9(O7)(O[W]13(O2[W](O1)(O4)(O[W]12(O5)(O[W]4(O6)(O8)(O1[W](O3)(O9)(O2)(O4)[O])[O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
InChI | InChI | 1.06 | InChI=1S/18H2O.19O.10W/h18*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;6*+2;+3/p-18 |
InChIKey | InChI | 1.06 | XZFCWADLFDSAET-UHFFFAOYSA-A |