4-fluoranyl-3-methylsulfonyl-2-propan-2-yl-benzoic acid

Systemtic Name: 4-fluoranyl-3-methylsulfonyl-2-propan-2-yl-benzoic acid Openeye Name: 4-fluoro-2-isopropyl-3-methylsulfonyl-benzoic acid CAS Name: 4-fluoro-3-methylsulfonyl-2-propan-2-ylbenzoic acid IUPAC Name: 4-fluoro-3-methylsulfonyl-2-propan-2-ylbenzoic acid Traditional Name: 4-fluoro-2-isopropyl-3-mesyl-benzoic acid Formula: C11H13FO4S MolecularWeight: 260.281923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1S(=O)(=O)C)F)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1S(=O)(=O)C)F)C(=O)O

InChI

InChI=1S/C11H13FO4S/c1-6(2)9-7(11(13)14)4-5-8(12)10(9)17(3,15)16/h4-6H,1-3H3,(H,13,14)