[(3R,5S)-5-(iodanylmethyl)oxolan-3-yl] 3,5-dinitrobenzoate

Systemtic Name: [(3R,5S)-5-(iodanylmethyl)oxolan-3-yl] 3,5-dinitrobenzoate Openeye Name: [(3R,5S)-5-(iodomethyl)tetrahydrofuran-3-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(3R,5S)-5-(iodomethyl)-3-oxolanyl] ester IUPAC Name: [(3R,5S)-5-(iodomethyl)oxolan-3-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(3R,5S)-5-(iodomethyl)tetrahydrofuran-3-yl] ester Formula: C12H11IN2O7 MolecularWeight: 422.12941

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1CI)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1[C@H](CO[C@@H]1CI)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11IN2O7/c13-5-10-4-11(6-21-10)22-12(16)7-1-8(14(17)18)3-9(2-7)15(19)20/h1-3,10-11H,4-6H2/t10-,11+/m0/s1