KWB

5-cyclohexyl-2-hydroxybenzoate

Created:	2015-02-12
Last modified:	2015-05-13

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2 entries where KWB is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of KWB

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Chemical Component Summary
Name	5-cyclohexyl-2-hydroxybenzoate
Systematic Name (OpenEye OEToolkits)	5-cyclohexyl-2-oxidanyl-benzoate
Formula	C₁₃ H₁₅ O₃
Molecular Weight	219.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]C(=O)c1cc(ccc1O)C2CCCCC2
SMILES	CACTVS	3.385	Oc1ccc(cc1C([O-])=O)C2CCCCC2
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1C([O-])=O)C2CCCCC2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(cc1C2CCCCC2)C(=O)[O-])O
InChI	InChI	1.03	InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)/p-1
InChIKey	InChI	1.03	GZEPXNUXMPYSOQ-UHFFFAOYSA-M

Related Resource References

Resource Name	Reference
PubChem	54750023, 40546119

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.