(3-phenethyloxycarbonylphenyl) 3-iodanyl-4-methyl-benzoate

Systemtic Name: (3-phenethyloxycarbonylphenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid (3-phenethyloxycarbonylphenyl) ester Formula: C23H19IO4 MolecularWeight: 486.29903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3)I

InChI

InChI=1S/C23H19IO4/c1-16-10-11-19(15-21(16)24)23(26)28-20-9-5-8-18(14-20)22(25)27-13-12-17-6-3-2-4-7-17/h2-11,14-15H,12-13H2,1H3