3,3-dideuterio-2,2-dimethyl-6-oxidanyl-5-(2,2,2-trideuterioethanoyl)thiopyran-4-one

Systemtic Name: 3,3-dideuterio-2,2-dimethyl-6-oxidanyl-5-(2,2,2-trideuterioethanoyl)thiopyran-4-one Openeye Name: 3,3-dideuterio-6-hydroxy-2,2-dimethyl-5-(2,2,2-trideuterioacetyl)thiopyran-4-one CAS Name: 3,3-dideuterio-6-hydroxy-2,2-dimethyl-5-(2,2,2-trideuterio-1-oxoethyl)-4-thiopyranone IUPAC Name: 3,3-dideuterio-6-hydroxy-2,2-dimethyl-5-(2,2,2-trideuterioacetyl)thiopyran-4-one Traditional Name: 3,3-dideuterio-6-hydroxy-2,2-dimethyl-5-(2,2,2-trideuterioacetyl)thiopyran-4-one Formula: C9H12O3S MolecularWeight: 205.285589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(SC(CC1=O)(C)C)O

Isomeric SMILES

[2H]C1(C(=O)C(=C(SC1(C)C)O)C(=O)C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C9H12O3S/c1-5(10)7-6(11)4-9(2,3)13-8(7)12/h12H,4H2,1-3H3/i1D3,4D2