JOX

2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione

Created:	2022-08-25
Last modified:	2023-07-05

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

2D diagram of JOX

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Chemical Component Summary
Name	2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
Systematic Name (OpenEye OEToolkits)	2,6-bis(chloranyl)cyclohexa-2,5-diene-1,4-dione
Formula	C₆ H₂ Cl₂ O₂
Molecular Weight	176.985
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ClC1=CC(=O)C=C(Cl)C1=O
SMILES	OpenEye OEToolkits	2.0.7	C1=C(C(=O)C(=CC1=O)Cl)Cl
Canonical SMILES	CACTVS	3.385	ClC1=CC(=O)C=C(Cl)C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1=C(C(=O)C(=CC1=O)Cl)Cl
InChI	InChI	1.06	InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey	InChI	1.06	JCARTGJGWCGSSU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12771
ChEBI	CHEBI:147298
CCDC/CSD	DCLBQN01, DCLBQN, DCLBQN03, DCLBQN02, NUFSAI, NUFSAI01, DCLBQN04, NUFSIQ, NIHGOB

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.