1-(3-fluoranyl-4-methylsulfonyl-phenyl)pentane-1,4-dione

Systemtic Name: 1-(3-fluoranyl-4-methylsulfonyl-phenyl)pentane-1,4-dione Openeye Name: 1-(3-fluoro-4-methylsulfonyl-phenyl)pentane-1,4-dione CAS Name: 1-(3-fluoro-4-methylsulfonylphenyl)pentane-1,4-dione IUPAC Name: 1-(3-fluoro-4-methylsulfonylphenyl)pentane-1,4-dione Traditional Name: 1-(3-fluoro-4-mesyl-phenyl)pentane-1,4-dione Formula: C12H13FO4S MolecularWeight: 272.292623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FO4S/c1-8(14)3-5-11(15)9-4-6-12(10(13)7-9)18(2,16)17/h4,6-7H,3,5H2,1-2H3