2-[3-(4-methylsulfonylphenyl)-5-phenylmethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-(4-methylsulfonylphenyl)-5-phenylmethoxy-phenyl]ethanoic acid Openeye Name: 2-[3-benzyloxy-5-(4-methylsulfonylphenyl)phenyl]acetic acid CAS Name: 2-[3-(4-methylsulfonylphenyl)-5-phenylmethoxyphenyl]acetic acid IUPAC Name: 2-[3-(4-methylsulfonylphenyl)-5-phenylmethoxyphenyl]acetic acid Traditional Name: 2-[3-benzoxy-5-(4-mesylphenyl)phenyl]acetic acid Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O5S/c1-28(25,26)21-9-7-18(8-10-21)19-11-17(13-22(23)24)12-20(14-19)27-15-16-5-3-2-4-6-16/h2-12,14H,13,15H2,1H3,(H,23,24)