[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C17H15IO3 MolecularWeight: 394.20367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H15IO3/c1-11-3-5-13(6-4-11)16(19)12(2)21-17(20)14-7-9-15(18)10-8-14/h3-10,12H,1-2H3/t12-/m0/s1