chempirical

2,5-Cyclohexadiene-1,4-dione 1,4-bis(O-benzoyloxime)

C20H14N2O4CAS 120-52-5346.34 g/mol

Open in Covalent MOL file
OONNOO
AlkeneOxime

Properties

Molecular formula
C20H14N2O4
Molar mass
346.34 g/mol
Exact mass
346.0954 Da
logP
3.54Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4

Identifiers

CAS number
120-52-5
SMILES
O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccccc1
InChIKey
WMVSVUVZSYRWIY-UHFFFAOYSA-N
InChI
InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime)
  • p-Benzoquinone, bis(O-benzoyloxime)
  • 2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime)
  • Dibenzoyl-p-benzoquinone dioxime
  • p-Dibenzoylquinone dioxime
  • Dibenzoyl-p-quinone dioxime
  • Quinone dioxime dibenzoate
  • p-Benzoquinone dioxime dibenzoate
  • p-Quinone dioxime dibenzoate
  • Dibenzo G-M-F
  • Rhenocure BQ
  • 1,4-Bis(benzoyloxyimino)cyclohexa-2,5-diene
  • Benzoquinone dioxime dibenzoate
  • Vulnoc DGM
  • Actor DQ
  • NSC 113483
  • O,O′-Dibenzoyl-p-quinone oxime

Work with 2,5-Cyclohexadiene-1,4-dione 1,4-bis(O-benzoyloxime)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoic anhydride93-97-054 % similar Benzoyl peroxide94-36-054 % similar Vinyl benzoate769-78-848 % similar Methyl benzoate93-58-348 % similar Peroxybenzoic acid93-59-448 % similar Phenyl benzoate93-99-248 % similar Di-O-benzoyldiethylene glycol120-55-844 % similar Pentaerythrityl tetrabenzoate4196-86-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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