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A1B9Z

Summary
Name:2,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
Formula:C20 H16 O4 S
Formal charge:0
Formula weight:352.404 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.522,2'-[thiophene-2,5-diyldi(4,1-phenylene)]diacetic acid
OpenEye OEToolkits3.1.0.02-[4-[5-[4-(2-hydroxy-2-oxoethyl)phenyl]thiophen-2-yl]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)Cc1ccc(cc1)c1ccc(s1)c1ccc(CC(=O)O)cc1
InChIInChI1.06InChI=1S/C20H16O4S/c21-19(22)11-13-1-5-15(6-2-13)17-9-10-18(25-17)16-7-3-14(4-8-16)12-20(23)24/h1-10H,11-12H2,(H,21,22)(H,23,24)
InChIKeyInChI1.06ZDYJCKHDQKYXFY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cc1ccc(cc1)c2sc(cc2)c3ccc(CC(O)=O)cc3
SMILESCACTVS3.385OC(=O)Cc1ccc(cc1)c2sc(cc2)c3ccc(CC(O)=O)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1CC(=O)O)c2ccc(s2)c3ccc(cc3)CC(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1CC(=O)O)c2ccc(s2)c3ccc(cc3)CC(=O)O

248636

PDB entries from 2026-02-04

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