4-(4-fluoranylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-(4-fluoranylphenoxy)-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(4-fluorophenoxy)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(4-fluorophenoxy)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(4-fluorophenoxy)-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(4-fluorophenoxy)-5-mesyl-2-methyl-benzoic acid Formula: C15H13FO5S MolecularWeight: 324.324123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FO5S/c1-9-7-13(21-11-5-3-10(16)4-6-11)14(22(2,19)20)8-12(9)15(17)18/h3-8H,1-2H3,(H,17,18)