2-[2-methyl-4-[4-(phenoxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[4-(phenoxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[4-(phenoxymethyl)phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[4-(phenoxymethyl)phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[4-(phenoxymethyl)phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[4-(phenoxymethyl)phenyl]thio]phenoxy]acetic acid Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C22H20O4S/c1-16-13-20(11-12-21(16)26-15-22(23)24)27-19-9-7-17(8-10-19)14-25-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,23,24)