4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-bis(iodanyl)phenoxy]-2-propan-2-yl-phenol

Systemtic Name: 4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-bis(iodanyl)phenoxy]-2-propan-2-yl-phenol Openeye Name: 4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodo-phenoxy]-2-isopropyl-phenol CAS Name: 4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodophenoxy]-2-propan-2-ylphenol IUPAC Name: 4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodophenoxy]-2-propan-2-ylphenol Traditional Name: 4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodo-phenoxy]-2-isopropyl-phenol Formula: C21H22I2N2O2 MolecularWeight: 588.22052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CCCC3=NC=CN3)I)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2I)CCCC3=NC=CN3)I)O

InChI

InChI=1S/C21H22I2N2O2/c1-13(2)16-12-15(6-7-19(16)26)27-21-17(22)10-14(11-18(21)23)4-3-5-20-24-8-9-25-20/h6-13,26H,3-5H2,1-2H3,(H,24,25)