4-ethanoylthiane-3,5-dione

Systemtic Name: 4-ethanoylthiane-3,5-dione Openeye Name: 4-acetyltetrahydrothiopyran-3,5-dione CAS Name: 4-acetylthiane-3,5-dione IUPAC Name: 4-acetylthiane-3,5-dione Traditional Name: 4-acetyltetrahydrothiopyran-3,5-quinone Formula: C7H8O3S MolecularWeight: 172.20162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CSCC1=O

Isomeric SMILES

CC(=O)C1C(=O)CSCC1=O

InChI

InChI=1S/C7H8O3S/c1-4(8)7-5(9)2-11-3-6(7)10/h7H,2-3H2,1H3