(4-hexoxyphenyl) 3-iodanylbenzoate

Systemtic Name: (4-hexoxyphenyl) 3-iodanylbenzoate Openeye Name: (4-hexoxyphenyl) 3-iodobenzoate CAS Name: 3-iodobenzoic acid (4-hexoxyphenyl) ester IUPAC Name: (4-hexoxyphenyl) 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (4-hexoxyphenyl) ester Formula: C19H21IO3 MolecularWeight: 424.27271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C19H21IO3/c1-2-3-4-5-13-22-17-9-11-18(12-10-17)23-19(21)15-7-6-8-16(20)14-15/h6-12,14H,2-5,13H2,1H3