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Summary Geometry Related PDB entries

7EO

Summary

Name:	2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one
Formula:	C16 H10 Cl2 O3 S
Formal charge:	0
Formula weight:	353.22 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,5-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one
OpenEye OEToolkits	2.0.6	3-chloranyl-4-[5-(2-chloranyl-4-oxidanyl-phenyl)-1-oxidanylidene-thiophen-2-yl]phenol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1cc(Cl)c(cc1)C2=CC=C(S2=O)c3c(Cl)cc(O)cc3
InChI	InChI	1.03	InChI=1S/C16H10Cl2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H
InChIKey	InChI	1.03	YOPQDLAJQVMTRC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=CC=C(c3ccc(O)cc3Cl)[S]2=O
SMILES	CACTVS	3.385	Oc1ccc(c(Cl)c1)C2=CC=C(c3ccc(O)cc3Cl)[S]2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1O)Cl)C2=CC=C(S2=O)c3ccc(cc3Cl)O

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