[(2S,3S,5S)-2-[(2S)-2-iodanyl-1-methoxy-1-oxidanylidene-propan-2-yl]-5-methyl-oxolan-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S,3S,5S)-2-[(2S)-2-iodanyl-1-methoxy-1-oxidanylidene-propan-2-yl]-5-methyl-oxolan-3-yl] 3,5-dinitrobenzoate Openeye Name: [(2S,3S,5S)-2-[(1S)-1-iodo-2-methoxy-1-methyl-2-oxo-ethyl]-5-methyl-tetrahydrofuran-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S,3S,5S)-2-[(2S)-2-iodo-1-methoxy-1-oxopropan-2-yl]-5-methyl-3-oxolanyl] ester IUPAC Name: [(2S,3S,5S)-2-[(2S)-2-iodo-1-methoxy-1-oxopropan-2-yl]-5-methyloxolan-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2S,3S,5S)-2-[(1S)-1-iodo-2-keto-2-methoxy-1-methyl-ethyl]-5-methyl-tetrahydrofuran-3-yl] ester Formula: C16H17IN2O9 MolecularWeight: 508.21865

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(O1)C(C)(C(=O)OC)I)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](O1)[C@@](C)(C(=O)OC)I)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17IN2O9/c1-8-4-12(13(27-8)16(2,17)15(21)26-3)28-14(20)9-5-10(18(22)23)7-11(6-9)19(24)25/h5-8,12-13H,4H2,1-3H3/t8-,12-,13-,16-/m0/s1