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

Systemtic Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-iodophenyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-iodophenyl)allylthio]phenoxy]acetic acid Formula: C23H18I2O3S MolecularWeight: 628.26116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18I2O3S/c24-18-5-1-16(2-6-18)22(17-3-7-19(25)8-4-17)13-14-29-21-11-9-20(10-12-21)28-15-23(26)27/h1-13H,14-15H2,(H,26,27)