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

Systemtic Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-3-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-iodophenyl)allylsulfanyl]-3-iodo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylthio]-3-iodophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-3-iodophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-iodophenyl)allylthio]-3-iodo-phenoxy]acetic acid Formula: C23H17I3O3S MolecularWeight: 754.15769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17I3O3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-22-10-9-19(13-21(22)26)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)