4-[3,5-bis(iodanyl)-4-(trifluoromethylsulfanyl)phenoxy]-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3,5-bis(iodanyl)-4-(trifluoromethylsulfanyl)phenoxy]-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 4-[3,5-diiodo-4-(trifluoromethylsulfanyl)phenoxy]-2-hydroxy-3-methyl-benzoic acid CAS Name: 4-[3,5-diiodo-4-(trifluoromethylthio)phenoxy]-2-hydroxy-3-methylbenzoic acid IUPAC Name: 4-[3,5-diiodo-4-(trifluoromethylsulfanyl)phenoxy]-2-hydroxy-3-methylbenzoic acid Traditional Name: 4-[3,5-diiodo-4-(trifluoromethylthio)phenoxy]-2-hydroxy-3-methyl-benzoic acid Formula: C15H9F3I2O4S MolecularWeight: 596.09871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)O)OC2=CC(=C(C(=C2)I)SC(F)(F)F)I

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)O)OC2=CC(=C(C(=C2)I)SC(F)(F)F)I

InChI

InChI=1S/C15H9F3I2O4S/c1-6-11(3-2-8(12(6)21)14(22)23)24-7-4-9(19)13(10(20)5-7)25-15(16,17)18/h2-5,21H,1H3,(H,22,23)