[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-iodanylbenzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-iodanylbenzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H15IO3 MolecularWeight: 394.20367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2I

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC=CC=C2I

InChI

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