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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > indanones > 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3h-inden-5-yl)oxy]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > indanones > 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3h-inden-5-yl)oxy]butanoic acid

Preferred term

4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3h-inden-5-yl)oxy]butanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28Cl2O4

inchi

  • InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)

inchikey

  • KHKGTPJPBOQECW-UHFFFAOYSA-N

mass

  • 427.362

monoisotopicmass

  • 426.13646

smiles

  • CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)O)C3CCCC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91677

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