(2-phenethyloxyphenyl) 3-iodanyl-4-methyl-benzoate

Systemtic Name: (2-phenethyloxyphenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (2-phenethyloxyphenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid (2-phenethyloxyphenyl) ester Formula: C22H19IO3 MolecularWeight: 458.28893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)I

InChI

InChI=1S/C22H19IO3/c1-16-11-12-18(15-19(16)23)22(24)26-21-10-6-5-9-20(21)25-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3