2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid Openeye Name: 2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid CAS Name: 2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid Traditional Name: 2-[[3-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenoxy]methyl]benzoic acid Formula: C23H22O7S MolecularWeight: 442.48158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)OCCC2=CC(=CC=C2)OCC3=CC=CC=C3C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)OCCC2=CC(=CC=C2)OCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22O7S/c1-31(26,27)30-20-11-9-19(10-12-20)28-14-13-17-5-4-7-21(15-17)29-16-18-6-2-3-8-22(18)23(24)25/h2-12,15H,13-14,16H2,1H3,(H,24,25)