3-[(4-methylsulfonylphenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-methylsulfonylphenoxy)methyl]benzoic acid Openeye Name: 3-[(4-methylsulfonylphenoxy)methyl]benzoic acid CAS Name: 3-[(4-methylsulfonylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-methylsulfonylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-mesylphenoxy)methyl]benzoic acid Formula: C15H14O5S MolecularWeight: 306.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H14O5S/c1-21(18,19)14-7-5-13(6-8-14)20-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)