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7EM

Summary
Name:4,4',4''-(thiene-2,3,5-triyl)triphenol
Formula:C22 H16 O3 S
Formal charge:0
Formula weight:360.426 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4',4''-(thiene-2,3,5-triyl)triphenol
OpenEye OEToolkits2.0.64-[2,5-bis(4-hydroxyphenyl)thiophen-3-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc4ccc(c1sc(c(c1)c2ccc(O)cc2)c3ccc(cc3)O)cc4
InChIInChI1.03InChI=1S/C22H16O3S/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)26-22(20)16-5-11-19(25)12-6-16/h1-13,23-25H
InChIKeyInChI1.03PDYDEVVHZXJAQO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)c2sc(c3ccc(O)cc3)c(c2)c4ccc(O)cc4
SMILESCACTVS3.385Oc1ccc(cc1)c2sc(c3ccc(O)cc3)c(c2)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O

223166

PDB entries from 2024-07-31

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