skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > [5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid

Preferred term

[5-fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H21FO2

has_functional_parent

has_role

inchi

  • InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-

inchikey

  • QCXBVGNDRYQVJO-GRSHGNNSSA-N

mass

  • 336.39930

monoisotopicmass

  • 336.15256

smiles

  • CC(C)c1ccc(cc1)/C=C1/C(C)=C(CC(O)=O)c2cc(F)ccc12

subset

  • 3_STAR

synonym EXACT

  • [(1Z)-5-fluoro-1-(4-isopropylbenzylidene)-2-methyl-1H-inden-3-yl]acetic acid

synonym RELATED

  • K-80003

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59660

Download this concept:

RDF/XML TURTLE JSON-LD