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

Systemtic Name: 2-ethoxy-3-[4-[4-(2-methylsulfonyloxyphenyl)butoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[4-(2-methylsulfonyloxyphenyl)butoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[4-(2-methylsulfonyloxyphenyl)butoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[4-(2-methylsulfonyloxyphenyl)butoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[4-(2-methylsulfonyloxyphenyl)butoxy]phenyl]propionic acid Formula: C22H28O7S MolecularWeight: 436.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCCCC2=CC=CC=C2OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCCCC2=CC=CC=C2OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H28O7S/c1-3-27-21(22(23)24)16-17-11-13-19(14-12-17)28-15-7-6-9-18-8-4-5-10-20(18)29-30(2,25)26/h4-5,8,10-14,21H,3,6-7,9,15-16H2,1-2H3,(H,23,24)