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

Systemtic Name: (2-phenethyloxyphenyl) 3-iodanyl-4-methoxy-benzoate Openeye Name: (2-phenethyloxyphenyl) 3-iodo-4-methoxy-benzoate CAS Name: 3-iodo-4-methoxybenzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-iodo-4-methoxybenzoate Traditional Name: 3-iodo-4-methoxy-benzoic acid (2-phenethyloxyphenyl) ester Formula: C22H19IO4 MolecularWeight: 474.28833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)I

InChI

InChI=1S/C22H19IO4/c1-25-19-12-11-17(15-18(19)23)22(24)27-21-10-6-5-9-20(21)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3