ethyl 4-iodanylbenzoate benzoate

Systemtic Name: ethyl 4-iodanylbenzoate benzoate Openeye Name: ethyl 4-iodobenzoate benzoate CAS Name: 4-iodobenzoic acid ethyl ester benzoate IUPAC Name: ethyl 4-iodobenzoate benzoate Traditional Name: 4-iodobenzoic acid ethyl ester benzoate Formula: C16H14IO4- MolecularWeight: 397.18443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)I.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)I.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H9IO2.C7H6O2/c1-2-12-9(11)7-3-5-8(10)6-4-7;8-7(9)6-4-2-1-3-5-6/h3-6H,2H2,1H3;1-5H,(H,8,9)/p-1