3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylsulfonylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(phenylsulfonylmethyl)phenyl]propanoic acid Openeye Name: 3-[4-(benzenesulfonylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-(benzenesulfonylmethyl)-2-[2-(2-naphthalenyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-(benzenesulfonylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanoic acid Traditional Name: 3-[4-(besylmethyl)-2-[2-(2-naphthyl)ethoxy]phenyl]propionic acid Formula: C28H26O5S MolecularWeight: 474.56804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC(=C(C=C2)CCC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H26O5S/c29-28(30)15-14-24-13-11-22(20-34(31,32)26-8-2-1-3-9-26)19-27(24)33-17-16-21-10-12-23-6-4-5-7-25(23)18-21/h1-13,18-19H,14-17,20H2,(H,29,30)