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

Systemtic Name: 3,3-dideuterio-5-(2,2-dideuteriopropanoyl)-2,2-dimethyl-6-oxidanyl-thiopyran-4-one Openeye Name: 3,3-dideuterio-5-(2,2-dideuteriopropanoyl)-6-hydroxy-2,2-dimethyl-thiopyran-4-one CAS Name: 3,3-dideuterio-5-(2,2-dideuterio-1-oxopropyl)-6-hydroxy-2,2-dimethyl-4-thiopyranone IUPAC Name: 3,3-dideuterio-5-(2,2-dideuteriopropanoyl)-6-hydroxy-2,2-dimethylthiopyran-4-one Traditional Name: 3,3-dideuterio-5-(2,2-dideuteriopropanoyl)-6-hydroxy-2,2-dimethyl-thiopyran-4-one Formula: C10H14O3S MolecularWeight: 218.306007

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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])C)[2H]

InChI

InChI=1S/C10H14O3S/c1-4-6(11)8-7(12)5-10(2,3)14-9(8)13/h13H,4-5H2,1-3H3/i4D2,5D2