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Home> Hot Product Listed T   > T6867829
20041-60-5 structure

T6867829

Iupac Name:(2-ethoxy-6-formylphenyl) benzenesulfonate
CAS No.:20041-60-5
Molecular Weight:306.332
Molecular Formula:C22H31N3OS2 (isomer)
Names and Identifiers
Synonyms

MCULE-3064050114 MOLPORT-009-358-617 n-{[1,1'-biphenyl]-4-yl}-2-[5-oxo-3-(pyridin-2-yl)-4,5-dihydro-1,2,4-oxadiazol-4-yl]acetamide Z995365190 ZINC58366899

Inchi
InChI=1S/C15H14O5S/c1-2-19-14-10-6-7-12(11-16)15(14)20-21(17,18)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChkey
UPPHWZNOUOVLJE-UHFFFAOYSA-N
Canonical Smiles
CCOC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=O
Computational chemical data
  • Molecular Weight:306.332g/mol
  • Molecular Formula:C22H31N3OS2
  • Compound Is Canonicalized:True
  • Exact Mass:306.056
  • Monoisotopic Mass:306.056
  • Complexity:422
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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