2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]propanoic acid

Systemtic Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]propanoic acid Openeye Name: 2-[4-[(4-benzyloxyphenyl)methylsulfanyl]-2-methyl-phenoxy]propanoic acid CAS Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylthio]phenoxy]propanoic acid IUPAC Name: 2-[2-methyl-4-[(4-phenylmethoxyphenyl)methylsulfanyl]phenoxy]propanoic acid Traditional Name: 2-[4-[(4-benzoxybenzyl)thio]-2-methyl-phenoxy]propionic acid Formula: C24H24O4S MolecularWeight: 408.50996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)OC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC=C(C=C2)OCC3=CC=CC=C3)OC(C)C(=O)O

InChI

InChI=1S/C24H24O4S/c1-17-14-22(12-13-23(17)28-18(2)24(25)26)29-16-20-8-10-21(11-9-20)27-15-19-6-4-3-5-7-19/h3-14,18H,15-16H2,1-2H3,(H,25,26)