Products 473278-76-1

CAS 473278-76-1 appears in our catalog under these names: Tefuryltrione, Tefuryltrione 100 µg/mL in Acetonitrile, Tefuryltrione, Concentration: 100 µg/ml Solvent: Acetonitrile, Tefuryltrione-13C-d3. Offered by: Chemat Brand, Dr. Ehrenstorfer, HPC Standards. Available pack sizes: on request, 50mg, 1ml, 1x1ml.

2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione is a beta-triketone that is 2-benzoylcyclohexane-1,3-dione in which the benzoyl group is substituted at positions 2, 3, and 4 by chlorine, (tetrahydrofuran-2-ylmethoxy)methyl, and methylsulfonyl groups, respectively. It is a beta-triketone, a member of cyclohexanones, an ether, a member of oxolanes, a sulfone, an aromatic ketone and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC20H23ClO7S
Molecular weight442.9 g/mol
IUPAC name2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione
InChIKeyUFAPVJDEYHLLBG-UHFFFAOYSA-N
SMILESCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC3CCCO3

Computed by PubChem (NCBI)