2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-phenylmethoxy-propyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-phenylmethoxy-propyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-benzyloxy-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2,6-dimethyl-4-[3-[4-(methylthio)phenyl]-3-phenylmethoxypropyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2,6-dimethyl-4-[3-(4-methylsulfanylphenyl)-3-phenylmethoxypropyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-benzoxy-3-[4-(methylthio)phenyl]propyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C29H34O4S MolecularWeight: 478.64286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(C2=CC=C(C=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(C2=CC=C(C=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C29H34O4S/c1-20-17-23(18-21(2)27(20)33-29(3,4)28(30)31)11-16-26(24-12-14-25(34-5)15-13-24)32-19-22-9-7-6-8-10-22/h6-10,12-15,17-18,26H,11,16,19H2,1-5H3,(H,30,31)