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

Systemtic Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-fluorophenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-fluorophenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-fluorophenyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C23H17BrF2O3S MolecularWeight: 491.345086

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)Br)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrF2O3S/c24-21-13-19(7-8-22(21)29-14-23(27)28)30-10-9-20(15-3-1-5-17(25)11-15)16-4-2-6-18(26)12-16/h1-9,11-13H,10,14H2,(H,27,28)