CLF

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Summary

Name:FE(8)-S(7) CLUSTER
Formula:Fe8 S7
Formal charge:0
Molecular weight:671.215 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

TypeProgramVersionDescriptor
InChIInChI1.02bInChI=1/8Fe.7S/rFe8S7/c1-9-3-10(1)5-11(1)4(9)15(3,5)6-12-2-13(6)8(15)14(2)7(12)15
InChIKeyInChI1.02bJKVMXLBGZBULKV-DHHOTQGYAO
SMILES_CANONICALCACTVS3.341S1|2[Fe]|3S4|[Fe]1[S]567([Fe]|8S|9[Fe]|%10S|8[Fe]5S|%10[Fe]6|9)[Fe]|2S|3[Fe]47
SMILESCACTVS3.341S1|2[Fe]|3S4|[Fe]1[S]567([Fe]|8S|9[Fe]|%10S|8[Fe]5S|%10[Fe]6|9)[Fe]|2S|3[Fe]47
SMILES_CANONICALOpenEye OEToolkits1.5.0[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
SMILESOpenEye OEToolkits1.5.0[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
169117
PDB entries from 2020-09-23