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Concept information

organooxygen compound > carbonyl compound > ketone > aromatic ketone > n,n-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > n,n-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester

Preferred term

n,n-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C19H21NO5S

inchi

  • InChI=1S/C19H21NO5S/c1-13-10-15(11-14(2)18(13)25-19(22)20(3)4)17(21)12-26(23,24)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3

inchikey

  • AAHUMVOTCJGEFN-UHFFFAOYSA-N

mass

  • 375.441

monoisotopicmass

  • 375.11404

smiles

  • CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=CC=C2

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105205

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