3-methyl-2-(4-methylsulfanylphenyl)-5,6-bis(oxidanyl)pyran-4-one

Systemtic Name: 3-methyl-2-(4-methylsulfanylphenyl)-5,6-bis(oxidanyl)pyran-4-one Openeye Name: 2,3-dihydroxy-5-methyl-6-(4-methylsulfanylphenyl)pyran-4-one CAS Name: 2,3-dihydroxy-5-methyl-6-[4-(methylthio)phenyl]-4-pyranone IUPAC Name: 2,3-dihydroxy-5-methyl-6-(4-methylsulfanylphenyl)pyran-4-one Traditional Name: 2,3-dihydroxy-5-methyl-6-[4-(methylthio)phenyl]pyran-4-one Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O4S/c1-7-10(14)11(15)13(16)17-12(7)8-3-5-9(18-2)6-4-8/h3-6,15-16H,1-2H3