3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]propionic acid Formula: C21H26O7S MolecularWeight: 422.49194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H26O7S/c1-15(2)27-20(21(22)23)14-17-6-8-18(9-7-17)26-13-12-16-4-10-19(11-5-16)28-29(3,24)25/h4-11,15,20H,12-14H2,1-3H3,(H,22,23)