2-methyl-4-propanoyl-thiane-3,5-dione

Systemtic Name: 2-methyl-4-propanoyl-thiane-3,5-dione Openeye Name: 2-methyl-4-propanoyl-tetrahydrothiopyran-3,5-dione CAS Name: 2-methyl-4-(1-oxopropyl)thiane-3,5-dione IUPAC Name: 2-methyl-4-propanoylthiane-3,5-dione Traditional Name: 2-methyl-4-propionyl-tetrahydrothiopyran-3,5-quinone Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=O)CSC(C1=O)C

Isomeric SMILES

CCC(=O)C1C(=O)CSC(C1=O)C

InChI

InChI=1S/C9H12O3S/c1-3-6(10)8-7(11)4-13-5(2)9(8)12/h5,8H,3-4H2,1-2H3