[(1R)-1-[(2S)-5-oxidanylideneoxolan-2-yl]undecyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-[(2S)-5-oxidanylideneoxolan-2-yl]undecyl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(2S)-5-oxotetrahydrofuran-2-yl]undecyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-[(2S)-5-oxo-2-oxolanyl]undecyl] ester IUPAC Name: [(1R)-1-[(2S)-5-oxooxolan-2-yl]undecyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(2S)-5-ketotetrahydrofuran-2-yl]undecyl] ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1CCC(=O)O1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-2-3-4-5-6-7-8-9-10-19(20-15-16-21(24)28-20)29-22(25)17-11-13-18(14-12-17)23(26)27/h11-14,19-20H,2-10,15-16H2,1H3/t19-,20+/m1/s1