6OR

3,5-dichloro-4-hydroxybenzene-1-sulfonic acid

Created:	2016-05-16
Last modified:	2017-04-05

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1 entries where 6OR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of 6OR

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Chemical Component Summary
Name	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)	3,5-bis(chloranyl)-4-oxidanyl-benzenesulfonic acid
Formula	C₆ H₄ Cl₂ O₄ S
Molecular Weight	243.065
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl
SMILES	CACTVS	3.385	Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O
SMILES	OpenEye OEToolkits	2.0.4	c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O
Canonical SMILES	CACTVS	3.385	Oc1c(Cl)cc(cc1Cl)[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1c(cc(c(c1Cl)O)Cl)S(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)
InChIKey	InChI	1.03	PGDCAFRJYQICAY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91397

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.