5-oxidanylidene-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid

Systemtic Name: 5-oxidanylidene-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid Openeye Name: 5-oxo-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid CAS Name: 5-oxo-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid IUPAC Name: 5-oxo-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid Traditional Name: 5-keto-2-(1,1,2,2,2-pentadeuterioethyl)hexanoic acid Formula: C8H14O3 MolecularWeight: 163.225769

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C)C(=O)O

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C(CCC(=O)C)C(=O)O

InChI

InChI=1S/C8H14O3/c1-3-7(8(10)11)5-4-6(2)9/h7H,3-5H2,1-2H3,(H,10,11)/i1D3,3D2