[(2R,3R)-1,3-dinitrooxy-4-phenyl-butan-2-yl] nitrate

Systemtic Name: [(2R,3R)-1,3-dinitrooxy-4-phenyl-butan-2-yl] nitrate Openeye Name: [(1R,2R)-1-benzyl-2,3-dinitrooxy-propyl] nitrate CAS Name: nitric acid [(2R,3R)-1,3-dinitrooxy-4-phenylbutan-2-yl] ester IUPAC Name: [(2R,3R)-1,3-dinitrooxy-4-phenylbutan-2-yl] nitrate Traditional Name: nitric acid [(1R,2R)-1-benzyl-2,3-dinitrooxy-propyl] ester Formula: C10H11N3O9 MolecularWeight: 317.20904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O9/c14-11(15)20-7-10(22-13(18)19)9(21-12(16)17)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10-/m1/s1