1-(4-methylsulfonylphenyl)pentane-1,4-dione

Systemtic Name: 1-(4-methylsulfonylphenyl)pentane-1,4-dione Openeye Name: 1-(4-methylsulfonylphenyl)pentane-1,4-dione CAS Name: 1-(4-methylsulfonylphenyl)pentane-1,4-dione IUPAC Name: 1-(4-methylsulfonylphenyl)pentane-1,4-dione Traditional Name: 1-(4-mesylphenyl)pentane-1,4-dione Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)C1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CC(=O)CCC(=O)C1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C12H14O4S/c1-9(13)3-8-12(14)10-4-6-11(7-5-10)17(2,15)16/h4-7H,3,8H2,1-2H3