2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-fluorophenyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-fluorophenyl)allylthio]phenoxy]acetic acid Formula: C23H18F2O3S MolecularWeight: 412.449026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H18F2O3S/c24-18-5-1-3-16(13-18)22(17-4-2-6-19(25)14-17)11-12-29-21-9-7-20(8-10-21)28-15-23(26)27/h1-11,13-14H,12,15H2,(H,26,27)