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Summary

Name:5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Synonyms:fluoro-resveratrol
Formula:C14 H11 F O3
Formal charge:0
Molecular weight:246.234 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
OpenEye OEToolkits1.7.65-[(E)-2-(3-fluoranyl-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc2cc(\C=C\c1cc(O)cc(O)c1)ccc2O
InChIInChI1.03InChI=1S/C14H11FO3/c15-13-7-9(3-4-14(13)18)1-2-10-5-11(16)8-12(17)6-10/h1-8,16-18H/b2-1+
InChIKeyInChI1.03VDUXKKFOASWEKM-OWOJBTEDSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)cc(/C=C/c2ccc(O)c(F)c2)c1
SMILESCACTVS3.385Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1/C=C/c2cc(cc(c2)O)O)F)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1C=Cc2cc(cc(c2)O)O)F)O