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

Systemtic Name: 3-hexylsulfanyl-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-hexylsulfanyl-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-(hexylthio)-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-hexylsulfanyl-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-(hexylthio)-2-hydroxy-6-methyl-pyran-4-one Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(OC(=CC1=O)C)O

Isomeric SMILES

CCCCCCSC1=C(OC(=CC1=O)C)O

InChI

InChI=1S/C12H18O3S/c1-3-4-5-6-7-16-11-10(13)8-9(2)15-12(11)14/h8,14H,3-7H2,1-2H3