butane-1,4-diol trinitrate

Systemtic Name: butane-1,4-diol trinitrate Openeye Name: butane-1,4-diol trinitrate CAS Name: butane-1,4-diol trinitrate IUPAC Name: butane-1,4-diol trinitrate Traditional Name: butane-1,4-diol trinitrate Formula: C4H10N3O11-3 MolecularWeight: 276.1357

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Descriptors Computed from Structure

Canonical SMILES:

C(CCO)CO.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C(CCO)CO.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C4H10O2.3NO3/c5-3-1-2-4-6;3*2-1(3)4/h5-6H,1-4H2;;;/q;3*-1