3-ethanoyl-2-oxidanyl-6-(propylsulfanylmethyl)pyran-4-one

Systemtic Name: 3-ethanoyl-2-oxidanyl-6-(propylsulfanylmethyl)pyran-4-one Openeye Name: 3-acetyl-2-hydroxy-6-(propylsulfanylmethyl)pyran-4-one CAS Name: 3-acetyl-2-hydroxy-6-[(propylthio)methyl]-4-pyranone IUPAC Name: 3-acetyl-2-hydroxy-6-(propylsulfanylmethyl)pyran-4-one Traditional Name: 3-acetyl-2-hydroxy-6-[(propylthio)methyl]pyran-4-one Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC(=O)C(=C(O1)O)C(=O)C

Isomeric SMILES

CCCSCC1=CC(=O)C(=C(O1)O)C(=O)C

InChI

InChI=1S/C11H14O4S/c1-3-4-16-6-8-5-9(13)10(7(2)12)11(14)15-8/h5,14H,3-4,6H2,1-2H3