(4-ethanoyl-2-methoxy-phenyl) 3-iodanylbenzoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 3-iodanylbenzoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 3-iodobenzoate CAS Name: 3-iodobenzoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C16H13IO4 MolecularWeight: 396.17649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13IO4/c1-10(18)11-6-7-14(15(9-11)20-2)21-16(19)12-4-3-5-13(17)8-12/h3-9H,1-2H3