[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl] ethanoate

Systemtic Name: [1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl] ethanoate Openeye Name: [2,2,2-trideuterio-1-(hydroxymethyl)-1-(trideuteriomethyl)ethyl] acetate CAS Name: acetic acid [1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl] ester IUPAC Name: [1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl] acetate Traditional Name: acetic acid [2,2,2-trideuterio-1-methylol-1-(trideuteriomethyl)ethyl] ester Formula: C6H12O3 MolecularWeight: 138.194651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)CO

Isomeric SMILES

[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])OC(=O)C

InChI

InChI=1S/C6H12O3/c1-5(8)9-6(2,3)4-7/h7H,4H2,1-3H3/i2D3,3D3