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Concept information

Preferred term

gw 4064  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C28H22Cl3NO4

inchi

  • InChI=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)/b10-9+

inchikey

  • BYTNEISLBIENSA-MDZDMXLPSA-N

mass

  • 542.83800

monoisotopicmass

  • 541.06144

smiles

  • CC(C)c1onc(c1COc1ccc(/C=C/c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79997

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