3-bromanyl-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one

Systemtic Name: 3-bromanyl-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one Openeye Name: 3-bromo-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one CAS Name: 3-bromo-6-methyl-4-(4-methylsulfonylphenyl)-2-pyranone IUPAC Name: 3-bromo-6-methyl-4-(4-methylsulfonylphenyl)pyran-2-one Traditional Name: 3-bromo-4-(4-mesylphenyl)-6-methyl-pyran-2-one Formula: C13H11BrO4S MolecularWeight: 343.19304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)Br)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C(=O)O1)Br)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H11BrO4S/c1-8-7-11(12(14)13(15)18-8)9-3-5-10(6-4-9)19(2,16)17/h3-7H,1-2H3