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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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