1,1,4-trinitrooxybutyl nitrate

Systemtic Name: 1,1,4-trinitrooxybutyl nitrate Openeye Name: 1,1,4-trinitrooxybutyl nitrate CAS Name: nitric acid 1,1,4-trinitrooxybutyl ester IUPAC Name: 1,1,4-trinitrooxybutyl nitrate Traditional Name: nitric acid 1,1,4-trinitrooxybutyl ester Formula: C4H6N4O12 MolecularWeight: 302.11004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6N4O12/c9-5(10)17-3-1-2-4(18-6(11)12,19-7(13)14)20-8(15)16/h1-3H2