[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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