3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoic acid Openeye Name: 4-(4-benzyloxyphenoxy)-3-methylsulfonyl-benzoic acid CAS Name: 3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoic acid IUPAC Name: 3-methylsulfonyl-4-(4-phenylmethoxyphenoxy)benzoic acid Traditional Name: 4-(4-benzoxyphenoxy)-3-mesyl-benzoic acid Formula: C21H18O6S MolecularWeight: 398.42902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18O6S/c1-28(24,25)20-13-16(21(22)23)7-12-19(20)27-18-10-8-17(9-11-18)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,22,23)