5-oxidanyl-2-(propylsulfanylmethyl)pyran-4-one

Systemtic Name: 5-oxidanyl-2-(propylsulfanylmethyl)pyran-4-one Openeye Name: 5-hydroxy-2-(propylsulfanylmethyl)pyran-4-one CAS Name: 5-hydroxy-2-[(propylthio)methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-(propylsulfanylmethyl)pyran-4-one Traditional Name: 5-hydroxy-2-[(propylthio)methyl]pyran-4-one Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC(=O)C(=CO1)O

Isomeric SMILES

CCCSCC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C9H12O3S/c1-2-3-13-6-7-4-8(10)9(11)5-12-7/h4-5,11H,2-3,6H2,1H3