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HFW

Summary
Name:Dawson-type polyoxometalate
Formula:Hf O61 P2 W17
Formal charge:null
Formula weight:4341.681 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs14.52Polycyclic part contains more than 20 rings!

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=[W]1234O[W]567(=O)O[W]89%10(=O)O[W]%11%12(=O)(O2)O[W]2%13(=O)(O3)O[W]3%14%15(=O)O[W]%16%17%18(=O)O[W]%19%20%21(=O)O[W]%22%23(=O)(O[W]%24%25(=O)(O[Hf]%26%27O[W]%28%29(=O)(O%24)O[W]%24%30(=O)(O[W]%31(=O)(O%26)(O[W](=O)(O%27)(O%22)(O2)O%23P(O%21[W](=O)(O%19)(O[W](=O)(O8)(O%16)(O6)O%18P(O%12%10)(O%13%15)=O47[W](=O)(O1)(O5)(O3)O%17)(O%28)O%24)(=O%25%29)O%31%30)O%11)O9)O%20)O%14
InChIInChI1.06InChI=1S/Hf.2O4P.53O.17W/c;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyInChI1.06KPEIZSMVVJMDHP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=[W]123O[Hf]45O[W]67(=O)(O[P@]89=[O]%10[W]%11%12(=O)(O4)O[W]%13(=O)(O[W]%14%15(=O)O[W]%16%17(=O)O[W]%18%19%20(=O)O[P@]%21%22=[O]%23[W]%24(=O)(O%14)(O%16)O[W]%25(=O)(O%18)O[W](=O)(O%21)(O[W]%26(=O)(O1)O[W](=O)(O%22)(O%15)(O6)O[W]%23(=O)(O%26)(O%25)O%24)(O%19)O[W]%27(=O)(O8)(O2)O[W](=O)(O%20)(O[W](=O)(O9)(O%13)(O%17)O%11)O[W]%10(=O)(O5)(O%27)O%12)O7)O3
SMILESCACTVS3.385O=[W]123O[Hf]45O[W]67(=O)(O[P]89=[O]%10[W]%11%12(=O)(O4)O[W]%13(=O)(O[W]%14%15(=O)O[W]%16%17(=O)O[W]%18%19%20(=O)O[P]%21%22=[O]%23[W]%24(=O)(O%14)(O%16)O[W]%25(=O)(O%18)O[W](=O)(O%21)(O[W]%26(=O)(O1)O[W](=O)(O%22)(O%15)(O6)O[W]%23(=O)(O%26)(O%25)O%24)(O%19)O[W]%27(=O)(O8)(O2)O[W](=O)(O%20)(O[W](=O)(O9)(O%13)(O%17)O%11)O[W]%10(=O)(O5)(O%27)O%12)O7)O3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0O=[W]1234O[Hf]56O[W]78(=O)(O1)O2=P91O2[W]%10%11(=O)(O5)O[W]5%12(=O)(O6)O9[W]6(=O)(O7)(O5)O[W]57(=O)(O8)O1[W]1(=O)(O3)(O5)O[W]2(=O)(O4)(O%10)O[W]234(=O)O[W]58(=O)(O%11)O2P29=O%10%11[W]%13%14(=O)(O5)O[W]5(=O)(O%12)(O8)O2[W]2(=O)(O6)(O5)O[W]56(=O)(O7)O9[W](=O)(O1)(O3)(O5)O[W]%10(=O)(O4)(O%13)O[W]%11(=O)(O2)(O6)O%14
SMILESOpenEye OEToolkits3.1.0.0O=[W]1234O[Hf]56O[W]78(=O)(O1)O2=P91O2[W]%10%11(=O)(O5)O[W]5%12(=O)(O6)O9[W]6(=O)(O7)(O5)O[W]57(=O)(O8)O1[W]1(=O)(O3)(O5)O[W]2(=O)(O4)(O%10)O[W]234(=O)O[W]58(=O)(O%11)O2P29=O%10%11[W]%13%14(=O)(O5)O[W]5(=O)(O%12)(O8)O2[W]2(=O)(O6)(O5)O[W]56(=O)(O7)O9[W](=O)(O1)(O3)(O5)O[W]%10(=O)(O4)(O%13)O[W]%11(=O)(O2)(O6)O%14

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PDB entries from 2026-10-07

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