WCC

FE(3)-NI(1)-S(4) CLUSTER

Created:	2001-08-22
Last modified:	2023-09-23

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Chemical Details
Formal Charge	0
Atom Count	8
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of WCC

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Chemical Component Summary
Name	FE(3)-NI(1)-S(4) CLUSTER
Formula	Fe₃ Ni S₄
Molecular Weight	354.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Ni]2
SMILES	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45
Canonical SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Ni]2
Canonical SMILES	OpenEye OEToolkits	2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45
InChI	InChI	1.06	InChI=1S/3Fe.Ni.4S
InChIKey	InChI	1.06	SEEZYPKDPRYISB-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.