[(2S,3S)-3-nitrooxy-1-oxidanyl-4-phenyl-butan-2-yl] nitrate

Systemtic Name: [(2S,3S)-3-nitrooxy-1-oxidanyl-4-phenyl-butan-2-yl] nitrate Openeye Name: [(1S,2S)-1-benzyl-3-hydroxy-2-nitrooxy-propyl] nitrate CAS Name: nitric acid [(2S,3S)-1-hydroxy-3-nitrooxy-4-phenylbutan-2-yl] ester IUPAC Name: [(2S,3S)-1-hydroxy-3-nitrooxy-4-phenylbutan-2-yl] nitrate Traditional Name: nitric acid [(1S,2S)-1-benzyl-3-hydroxy-2-nitrooxy-propyl] ester Formula: C10H12N2O7 MolecularWeight: 272.21148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CO)O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](CO)O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O7/c13-7-10(19-12(16)17)9(18-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2/t9-,10-/m0/s1