[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H17IO3 MolecularWeight: 408.23025

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C18H17IO3/c1-3-13-7-9-14(10-8-13)17(20)12(2)22-18(21)15-5-4-6-16(19)11-15/h4-12H,3H2,1-2H3/t12-/m0/s1