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

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C16H13IO3 MolecularWeight: 380.17709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H13IO3/c1-11-5-7-12(8-6-11)15(18)10-20-16(19)13-3-2-4-14(17)9-13/h2-9H,10H2,1H3