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

Systemtic Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-iodophenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-iodophenyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C23H17BrI2O3S MolecularWeight: 707.15722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)I)I

Isomeric SMILES

C1=CC(=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)I)I

InChI

InChI=1S/C23H17BrI2O3S/c24-21-13-19(9-10-22(21)29-14-23(27)28)30-12-11-20(15-1-5-17(25)6-2-15)16-3-7-18(26)8-4-16/h1-11,13H,12,14H2,(H,27,28)