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

Systemtic Name: (4-propanoylphenyl) 3-iodanyl-4-methyl-benzoate Openeye Name: (4-propanoylphenyl) 3-iodo-4-methyl-benzoate CAS Name: 3-iodo-4-methylbenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-iodo-4-methylbenzoate Traditional Name: 3-iodo-4-methyl-benzoic acid (4-propionylphenyl) ester Formula: C17H15IO3 MolecularWeight: 394.20367

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C17H15IO3/c1-3-16(19)12-6-8-14(9-7-12)21-17(20)13-5-4-11(2)15(18)10-13/h4-10H,3H2,1-2H3