2-[2-(4-fluoranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 2-[2-(4-fluoranylphenoxy)phenyl]sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 2-[2-(4-fluorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[[2-(4-fluorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-[2-(4-fluorophenoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[[2-(4-fluorophenoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C22H19FO5S MolecularWeight: 414.446663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)(O)SC2=CC=CC=C2OC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)O)(O)SC2=CC=CC=C2OC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FO5S/c1-27-17-10-6-15(7-11-17)14-22(26,21(24)25)29-20-5-3-2-4-19(20)28-18-12-8-16(23)9-13-18/h2-13,26H,14H2,1H3,(H,24,25)