3-ethanoyl-2-oxidanyl-6-(phenylsulfanylmethyl)pyran-4-one

Systemtic Name: 3-ethanoyl-2-oxidanyl-6-(phenylsulfanylmethyl)pyran-4-one Openeye Name: 3-acetyl-2-hydroxy-6-(phenylsulfanylmethyl)pyran-4-one CAS Name: 3-acetyl-2-hydroxy-6-[(phenylthio)methyl]-4-pyranone IUPAC Name: 3-acetyl-2-hydroxy-6-(phenylsulfanylmethyl)pyran-4-one Traditional Name: 3-acetyl-2-hydroxy-6-[(phenylthio)methyl]pyran-4-one Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC(=CC1=O)CSC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)C1=C(OC(=CC1=O)CSC2=CC=CC=C2)O

InChI

InChI=1S/C14H12O4S/c1-9(15)13-12(16)7-10(18-14(13)17)8-19-11-5-3-2-4-6-11/h2-7,17H,8H2,1H3