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SummaryGeometryRelated PDB entries

5ET

Summary
Name:4,4'-thiene-2,5-diylbis(3-chlorophenol)
Formula:C16 H10 Cl2 O2 S
Formal charge:0
Formula weight:337.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-thiene-2,5-diylbis(3-chlorophenol)
OpenEye OEToolkits1.9.23-chloranyl-4-[5-(2-chloranyl-4-oxidanyl-phenyl)thiophen-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03VTUSJVDCYSEYNA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl
SMILESCACTVS3.385Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O

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PDB entries from 2024-07-24

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