Products 679789-44-7

CAS 679789-44-7 appears in our catalog under these names: rac Mono(2-ethyl-5-oxohexyl) Phthalate-d4, >95% (HPLC), Mono(2-ethyl-5-oxohexyl) phthalate-d4. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg.

Structural formula: {0} (CAS {1})

2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid (CAS 679789-44-7) is a chemical compound with the molecular formula C16H20O5 and a molecular weight of 296.35 g/mol. IUPAC name: 2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid. InChIKey: HCWNFKHKKHNSSL-UGWFXTGHSA-N.

Identity
Molecular formulaC16H20O5
Molecular weight296.35 g/mol
IUPAC name2,3,4,5-tetradeuterio-6-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid
InChIKeyHCWNFKHKKHNSSL-UGWFXTGHSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCC(CC)CCC(=O)C)[2H])[2H]

Computed by PubChem (NCBI)