BJ8

Double cubane cluster

Created:	2017-10-05
Last modified:	2018-03-14

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7 entries where BJ8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of BJ8

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Chemical Component Summary
Name	Double cubane cluster
Formula	Fe₈ S₉
Molecular Weight	735.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
SMILES	OpenEye OEToolkits	2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
Canonical SMILES	CACTVS	3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[Fe]4S[Fe]S4
Canonical SMILES	OpenEye OEToolkits	2.0.6	S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
InChI	InChI	1.03	InChI=1S/8Fe.9S
InChIKey	InChI	1.03	CSVVAMDLRWBOEA-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.