[(2S,3S,5S)-2-nitro-3-oxidanyl-1-phenyl-tetradecan-5-yl] ethanoate

Systemtic Name: [(2S,3S,5S)-2-nitro-3-oxidanyl-1-phenyl-tetradecan-5-yl] ethanoate Openeye Name: [(1S)-1-[(2S,3S)-2-hydroxy-3-nitro-4-phenyl-butyl]decyl] acetate CAS Name: acetic acid [(2S,3S,5S)-3-hydroxy-2-nitro-1-phenyltetradecan-5-yl] ester IUPAC Name: [(2S,3S,5S)-3-hydroxy-2-nitro-1-phenyltetradecan-5-yl] acetate Traditional Name: acetic acid [(1S)-1-[(2S,3S)-2-hydroxy-3-nitro-4-phenyl-butyl]decyl] ester Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(C(CC1=CC=CC=C1)[N+](=O)[O-])O)OC(=O)C

Isomeric SMILES

CCCCCCCCC[C@@H](C[C@@H]([C@H](CC1=CC=CC=C1)[N+](=O)[O-])O)OC(=O)C

InChI

InChI=1S/C22H35NO5/c1-3-4-5-6-7-8-12-15-20(28-18(2)24)17-22(25)21(23(26)27)16-19-13-10-9-11-14-19/h9-11,13-14,20-22,25H,3-8,12,15-17H2,1-2H3/t20-,21-,22-/m0/s1