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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > thioester > 2-(3,4-dimethylphenoxy)ethanethioic acid s-(4-methylphenyl) ester

Preferred term

2-(3,4-dimethylphenoxy)ethanethioic acid s-(4-methylphenyl) ester  

Type

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

Broader concept

charge

  • 0

formula

  • C17H18O2S

inchi

  • InChI=1S/C17H18O2S/c1-12-4-8-16(9-5-12)20-17(18)11-19-15-7-6-13(2)14(3)10-15/h4-10H,11H2,1-3H3

inchikey

  • XGFYCQDWUFLLJC-UHFFFAOYSA-N

mass

  • 286.390

monoisotopicmass

  • 286.10275

smiles

  • CC1=CC=C(C=C1)SC(=O)COC2=CC(=C(C=C2)C)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107862

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