5ET

4,4'-thiene-2,5-diylbis(3-chlorophenol)

Created:	2015-09-17
Last modified:	2016-05-04

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1 entries where 5ET is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	17

2D diagram of 5ET

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Chemical Component Summary
Name	4,4'-thiene-2,5-diylbis(3-chlorophenol)
Systematic Name (OpenEye OEToolkits)	3-chloranyl-4-[5-(2-chloranyl-4-oxidanyl-phenyl)thiophen-2-yl]phenol
Formula	C₁₆ H₁₀ Cl₂ O₂ S
Molecular Weight	337.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O
SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O
InChI	InChI	1.03	InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H
InChIKey	InChI	1.03	VTUSJVDCYSEYNA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71624342
ChEMBL	CHEMBL2332594

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