[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H17IO3 MolecularWeight: 408.23025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)I)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=CC(=CC=C2)I)C)C

InChI

InChI=1S/C18H17IO3/c1-11-7-13(3)16(8-12(11)2)17(20)10-22-18(21)14-5-4-6-15(19)9-14/h4-9H,10H2,1-3H3