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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=CC=C1)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC(=CC=C1)OCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O

InChI

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