2-methyl-3-(4-methylsulfonylphenyl)pyran-4-one

Systemtic Name: 2-methyl-3-(4-methylsulfonylphenyl)pyran-4-one Openeye Name: 2-methyl-3-(4-methylsulfonylphenyl)pyran-4-one CAS Name: 2-methyl-3-(4-methylsulfonylphenyl)-4-pyranone IUPAC Name: 2-methyl-3-(4-methylsulfonylphenyl)pyran-4-one Traditional Name: 3-(4-mesylphenyl)-2-methyl-pyran-4-one Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)C=CO1)C2=CC=C(C=C2)S(=O)(=O)C

InChI

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