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

Systemtic Name: [(1S)-1-[(2R)-5-oxidanylideneoxolan-2-yl]tridecyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2R)-5-oxotetrahydrofuran-2-yl]tridecyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(2R)-5-oxo-2-oxolanyl]tridecyl] ester IUPAC Name: [(1S)-1-[(2R)-5-oxooxolan-2-yl]tridecyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2R)-5-ketotetrahydrofuran-2-yl]tridecyl] ester Formula: C24H35NO6 MolecularWeight: 433.5378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35NO6/c1-2-3-4-5-6-7-8-9-10-11-12-21(22-17-18-23(26)30-22)31-24(27)19-13-15-20(16-14-19)25(28)29/h13-16,21-22H,2-12,17-18H2,1H3/t21-,22+/m0/s1