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

Systemtic Name: 2-[4-[3,3-bis(4-bromophenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-bromophenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-bromophenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-bromophenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-bromophenyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C23H17Br3O3S MolecularWeight: 613.15628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17Br3O3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)