6-methyl-3-(3-methylsulfanylpropanoyl)-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-(3-methylsulfanylpropanoyl)-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-(3-methylsulfanylpropanoyl)pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[3-(methylthio)-1-oxopropyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-(3-methylsulfanylpropanoyl)pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[3-(methylthio)propanoyl]pyran-4-one Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(=O)CCSC

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(=O)CCSC

InChI

InChI=1S/C10H12O4S/c1-6-5-8(12)9(10(13)14-6)7(11)3-4-15-2/h5,13H,3-4H2,1-2H3