CZL

Summary

Name:	L-Cluster (Fe8S9)
Formula:	Fe8 H6 S9
Formal charge:	0
Formula weight:	741.393 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
SMILES_CANONICAL	CACTVS	3.370	S1[Fe]\|23\|4\|5[SH]6[Fe]\|78\|2[SH]3[Fe]9%10\|4S[Fe]\|%11\|%12%13%14[SH]%15[Fe]1%16\|5\|%11[SH]%17[Fe]\|%18\|%12%16(S[Fe]6\|79\|%18[SH]8%10)[SH]%13[Fe@@]%14%15%17
SMILES	CACTVS	3.370	S1[Fe]\|23\|4\|5[SH]6[Fe]\|78\|2[SH]3[Fe]9%10\|4S[Fe]\|%11\|%12%13%14[SH]%15[Fe]1%16\|5\|%11[SH]%17[Fe]\|%18\|%12%16(S[Fe]6\|79\|%18[SH]8%10)[SH]%13[Fe]%14%15%17
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	S1[Fe]234[S@H]5[Fe]2678[Fe]592[S@H]3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)[S@@H]1[Fe]5([S@@H]63)S24
SMILES	OpenEye OEToolkits	1.7.0	S1[Fe]234S5[Fe]2678[Fe]592S3[Fe]493(S26)S[Fe]3234[Fe]1156[Fe]722(S8)S1[Fe]5(S63)S24
InChI	InChI	1.03	InChI=1S/8Fe.6HS.3S/h;;;;;;;;6*1H;;;
InChIKey	InChI	1.03	FRFZBLMXGBLMJN-UHFFFAOYSA-N