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CHEBI:93125 - 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid

Default Structure
ChEBI IDCHEBI:93125
ChEBI Name3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid
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DownloadsMolfile
FormulaC28H22Cl3NO4
Net Charge0
Average Mass542.846
Monoisotopic Mass541.06144
SMILESCC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C=Cc2cccc(C(=O)O)c2)c(Cl)c1
InChIInChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)
InChIKeyBYTNEISLBIENSA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid (CHEBI:93125) is a stilbenoid (CHEBI:26776)
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