6-methyl-2-oxidanyl-3-(1-phenylsulfanylethyl)pyran-4-one

Systemtic Name: 6-methyl-2-oxidanyl-3-(1-phenylsulfanylethyl)pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-(1-phenylsulfanylethyl)pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[1-(phenylthio)ethyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-(1-phenylsulfanylethyl)pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-[1-(phenylthio)ethyl]pyran-4-one Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)C(C)SC2=CC=CC=C2

InChI

InChI=1S/C14H14O3S/c1-9-8-12(15)13(14(16)17-9)10(2)18-11-6-4-3-5-7-11/h3-8,10,16H,1-2H3