16Q

ethoxybenzene

Created:	2012-10-22
Last modified:	2013-10-30

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1 entries where 16Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of 16Q

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Chemical Component Summary
Name	ethoxybenzene
Systematic Name (OpenEye OEToolkits)	ethoxybenzene
Formula	C₈ H₁₀ O
Molecular Weight	122.164
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ethyl phenyl ether
SMILES	CACTVS	3.370	CCOc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	CCOc1ccccc1
Canonical SMILES	CACTVS	3.370	CCOc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOc1ccccc1
InChI	InChI	1.03	InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey	InChI	1.03	DLRJIFUOBPOJNS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7674
ChEMBL	CHEMBL499585
ChEBI	CHEBI:67129
CCDC/CSD	GUNNOS, YESQIW

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.