6-methyl-3-[2-(4-methylphenyl)sulfonylethanoyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-3-[2-(4-methylphenyl)sulfonylethanoyl]-2-oxidanyl-pyran-4-one Openeye Name: 2-hydroxy-6-methyl-3-[2-(p-tolylsulfonyl)acetyl]pyran-4-one CAS Name: 2-hydroxy-6-methyl-3-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]-4-pyranone IUPAC Name: 2-hydroxy-6-methyl-3-[2-(4-methylphenyl)sulfonylacetyl]pyran-4-one Traditional Name: 2-hydroxy-6-methyl-3-(2-tosylacetyl)pyran-4-one Formula: C15H14O6S MolecularWeight: 322.33306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=C(OC(=CC2=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=C(OC(=CC2=O)C)O

InChI

InChI=1S/C15H14O6S/c1-9-3-5-11(6-4-9)22(19,20)8-13(17)14-12(16)7-10(2)21-15(14)18/h3-7,18H,8H2,1-2H3