5-[5-(4-iodanyl-2,6-dimethyl-phenoxy)pentyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[5-(4-iodanyl-2,6-dimethyl-phenoxy)pentyl]-3-methyl-1,2-oxazole Openeye Name: 5-[5-(4-iodo-2,6-dimethyl-phenoxy)pentyl]-3-methyl-isoxazole CAS Name: 5-[5-(4-iodo-2,6-dimethylphenoxy)pentyl]-3-methylisoxazole IUPAC Name: 5-[5-(4-iodo-2,6-dimethylphenoxy)pentyl]-3-methyl-1,2-oxazole Traditional Name: 5-[5-(4-iodo-2,6-dimethyl-phenoxy)pentyl]-3-methyl-isoxazole Formula: C17H22INO2 MolecularWeight: 399.26655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)I

Isomeric SMILES

CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)I

InChI

InChI=1S/C17H22INO2/c1-12-9-15(18)10-13(2)17(12)20-8-6-4-5-7-16-11-14(3)19-21-16/h9-11H,4-8H2,1-3H3