[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C17H15IO3 MolecularWeight: 394.20367

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H15IO3/c1-2-12-6-8-13(9-7-12)16(19)11-21-17(20)14-4-3-5-15(18)10-14/h3-10H,2,11H2,1H3