E35

ethyl 3,5-dihydroxybenzoate

Created:	2013-02-13
Last modified:	2013-05-22

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1 entries where E35 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of E35

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Chemical Component Summary
Name	ethyl 3,5-dihydroxybenzoate
Systematic Name (OpenEye OEToolkits)	ethyl 3,5-bis(oxidanyl)benzoate
Formula	C₉ H₁₀ O₄
Molecular Weight	182.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)c1cc(O)cc(O)c1
SMILES	CACTVS	3.370	CCOC(=O)c1cc(O)cc(O)c1
SMILES	OpenEye OEToolkits	1.7.6	CCOC(=O)c1cc(cc(c1)O)O
Canonical SMILES	CACTVS	3.370	CCOC(=O)c1cc(O)cc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCOC(=O)c1cc(cc(c1)O)O
InChI	InChI	1.03	InChI=1S/C9H10O4/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5,10-11H,2H2,1H3
InChIKey	InChI	1.03	APHYVLPIZUVDTK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL448695
PubChem	20098
ChEMBL	CHEMBL448695
CCDC/CSD	HERZIO
COD	8101958

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.