Rofecoxib

Molecular Weight (g/mol)

314.4

Molecular Formula

C17H14O4S

InChI

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

RZJQGNCSTQAWON-UHFFFAOYSA-N

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

IUPAC Name

3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

Exact Mass (Da)

314.0612801

Monoisotopic Mass (Da)

314.0612801