3QK

trihydroxy(octyl)borate(1-)

Created:	2014-10-17
Last modified:	2024-09-27

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1 entries where 3QK is covalently linked to polymer or other heterogen groups

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

2D diagram of 3QK

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Chemical Component Summary
Name	trihydroxy(octyl)borate(1-)
Systematic Name (OpenEye OEToolkits)	octyl-tris(oxidanyl)boranuide
Formula	C₈ H₂₀ B O₃
Molecular Weight	175.054
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O[B-](O)(O)CCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCC[B-](O)(O)O
SMILES	OpenEye OEToolkits	1.9.2	[B-](CCCCCCCC)(O)(O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCC[B-](O)(O)O
Canonical SMILES	OpenEye OEToolkits	1.9.2	[B-](CCCCCCCC)(O)(O)O
InChI	InChI	1.03	InChI=1S/C8H20BO3/c1-2-3-4-5-6-7-8-9(10,11)12/h10-12H,2-8H2,1H3/q-1
InChIKey	InChI	1.03	UFILDBLRNSLDDP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86277913

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.