2,4,6,6,6-pentadeuteriohexanoic acid

Systemtic Name: 2,4,6,6,6-pentadeuteriohexanoic acid Openeye Name: 2,4,6,6,6-pentadeuteriohexanoic acid CAS Name: 2,4,6,6,6-pentadeuteriohexanoic acid IUPAC Name: 2,4,6,6,6-pentadeuteriohexanoic acid Traditional Name: 2,4,6,6,6-pentadeuteriohexanoic acid Formula: C6H12O2 MolecularWeight: 121.189089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3,3D,5D