[5-iodanyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-yl] ethanoate

Systemtic Name: [5-iodanyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-yl] ethanoate Openeye Name: [4-iodo-1-[[3-(trifluoromethyl)phenoxy]methyl]butyl] acetate CAS Name: acetic acid [5-iodo-1-[3-(trifluoromethyl)phenoxy]pentan-2-yl] ester IUPAC Name: [5-iodo-1-[3-(trifluoromethyl)phenoxy]pentan-2-yl] acetate Traditional Name: acetic acid [4-iodo-1-[[3-(trifluoromethyl)phenoxy]methyl]butyl] ester Formula: C14H16F3IO3 MolecularWeight: 416.17472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCI)COC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(=O)OC(CCCI)COC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C14H16F3IO3/c1-10(19)21-13(6-3-7-18)9-20-12-5-2-4-11(8-12)14(15,16)17/h2,4-5,8,13H,3,6-7,9H2,1H3