(4-phenylmethoxyphenyl) 2-iodanyl-3-methoxy-5-methyl-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-iodanyl-3-methoxy-5-methyl-benzoate Openeye Name: (4-benzyloxyphenyl) 2-iodo-3-methoxy-5-methyl-benzoate CAS Name: 2-iodo-3-methoxy-5-methylbenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-iodo-3-methoxy-5-methylbenzoate Traditional Name: 2-iodo-3-methoxy-5-methyl-benzoic acid (4-benzoxyphenyl) ester Formula: C22H19IO4 MolecularWeight: 474.28833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)I)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3)I)OC

InChI

InChI=1S/C22H19IO4/c1-15-12-19(21(23)20(13-15)25-2)22(24)27-18-10-8-17(9-11-18)26-14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3