7ER

3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione

Created:	2016-10-15
Last modified:	2017-01-18

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1 entries where 7ER is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 7ER

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Chemical Component Summary
Name	3,4-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione
Systematic Name (OpenEye OEToolkits)	3-fluoranyl-4-[4-(2-fluoranyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)thiophen-3-yl]phenol
Formula	C₁₆ H₁₀ F₂ O₄ S
Molecular Weight	336.31
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(O)ccc1C2=CS(=O)(=O)C=C2c3c(cc(O)cc3)F
SMILES	CACTVS	3.385	Oc1ccc(c(F)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3F
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(F)c1)C2=C[S](=O)(=O)C=C2c3ccc(O)cc3F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O
InChI	InChI	1.03	InChI=1S/C16H10F2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKey	InChI	1.03	NSLCRKQKPFUSRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348604

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.