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

Systemtic Name: 2-[4-[3,3-bis(2-fluorophenyl)prop-2-enylsulfanyl]-2-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-fluorophenyl)allylsulfanyl]-2-iodo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-fluorophenyl)prop-2-enylthio]-2-iodophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-fluorophenyl)prop-2-enylsulfanyl]-2-iodophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-fluorophenyl)allylthio]-2-iodo-phenoxy]acetic acid Formula: C23H17F2IO3S MolecularWeight: 538.345556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3F)F

InChI

InChI=1S/C23H17F2IO3S/c24-19-7-3-1-5-17(19)16(18-6-2-4-8-20(18)25)11-12-30-15-9-10-22(21(26)13-15)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)