[2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] nitrate

Systemtic Name: [2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] nitrate Openeye Name: [2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] nitrate CAS Name: nitric acid [2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] nitrate Traditional Name: nitric acid [2-nitrooxy-1-[4-(trifluoromethyl)phenyl]ethyl] ester Formula: C9H7F3N2O6 MolecularWeight: 296.15689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO[N+](=O)[O-])O[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(CO[N+](=O)[O-])O[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H7F3N2O6/c10-9(11,12)7-3-1-6(2-4-7)8(20-14(17)18)5-19-13(15)16/h1-4,8H,5H2