[(2S)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-iodanyl-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-iodanyl-propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-iodo-ethyl] acetate CAS Name: acetic acid [(2S)-1-(1,3-dioxo-2-isoindolyl)-3-iodopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-dioxoisoindol-2-yl)-3-iodopropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-(iodomethyl)-2-phthalimido-ethyl] ester Formula: C13H12INO4 MolecularWeight: 373.14315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1C(=O)C2=CC=CC=C2C1=O)CI

Isomeric SMILES

CC(=O)O[C@@H](CN1C(=O)C2=CC=CC=C2C1=O)CI

InChI

InChI=1S/C13H12INO4/c1-8(16)19-9(6-14)7-15-12(17)10-4-2-3-5-11(10)13(15)18/h2-5,9H,6-7H2,1H3/t9-/m1/s1