3-hexylsulfinyl-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-hexylsulfinyl-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-hexylsulfinyl-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-hexylsulfinyl-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-hexylsulfinyl-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-hexylsulfinyl-2-hydroxy-6-methyl-pyran-4-one Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)C1=C(OC(=CC1=O)C)O

Isomeric SMILES

CCCCCCS(=O)C1=C(OC(=CC1=O)C)O

InChI

InChI=1S/C12H18O4S/c1-3-4-5-6-7-17(15)11-10(13)8-9(2)16-12(11)14/h8,14H,3-7H2,1-2H3