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

Systemtic Name: 1-(4-methylsulfonylphenyl)hexane-1,4-dione Openeye Name: 1-(4-methylsulfonylphenyl)hexane-1,4-dione CAS Name: 1-(4-methylsulfonylphenyl)hexane-1,4-dione IUPAC Name: 1-(4-methylsulfonylphenyl)hexane-1,4-dione Traditional Name: 1-(4-mesylphenyl)hexane-1,4-dione Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4S/c1-3-11(14)6-9-13(15)10-4-7-12(8-5-10)18(2,16)17/h4-5,7-8H,3,6,9H2,1-2H3