2-[4-[[3-(2-fluoranylphenoxy)phenyl]methylsulfanyl]-2-methyl-phenoxy]propanoic acid

Systemtic Name: 2-[4-[[3-(2-fluoranylphenoxy)phenyl]methylsulfanyl]-2-methyl-phenoxy]propanoic acid Openeye Name: 2-[4-[[3-(2-fluorophenoxy)phenyl]methylsulfanyl]-2-methyl-phenoxy]propanoic acid CAS Name: 2-[4-[[3-(2-fluorophenoxy)phenyl]methylthio]-2-methylphenoxy]propanoic acid IUPAC Name: 2-[4-[[3-(2-fluorophenoxy)phenyl]methylsulfanyl]-2-methylphenoxy]propanoic acid Traditional Name: 2-[4-[[3-(2-fluorophenoxy)benzyl]thio]-2-methyl-phenoxy]propionic acid Formula: C23H21FO4S MolecularWeight: 412.473843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=CC(=CC=C2)OC3=CC=CC=C3F)OC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=CC(=CC=C2)OC3=CC=CC=C3F)OC(C)C(=O)O

InChI

InChI=1S/C23H21FO4S/c1-15-12-19(10-11-21(15)27-16(2)23(25)26)29-14-17-6-5-7-18(13-17)28-22-9-4-3-8-20(22)24/h3-13,16H,14H2,1-2H3,(H,25,26)