[2-iodanyl-5-phenethyl-3-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [2-iodanyl-5-phenethyl-3-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: (3-benzoyloxy-2-iodo-5-phenethyl-phenyl) benzoate CAS Name: benzoic acid (3-benzoyloxy-2-iodo-5-phenethylphenyl) ester IUPAC Name: (3-benzoyloxy-2-iodo-5-phenethylphenyl) benzoate Traditional Name: benzoic acid (3-benzoyloxy-2-iodo-5-phenethyl-phenyl) ester Formula: C28H21IO4 MolecularWeight: 548.36841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC(=O)C3=CC=CC=C3)I)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC(=O)C3=CC=CC=C3)I)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H21IO4/c29-26-24(32-27(30)22-12-6-2-7-13-22)18-21(17-16-20-10-4-1-5-11-20)19-25(26)33-28(31)23-14-8-3-9-15-23/h1-15,18-19H,16-17H2