2-(hydroxymethyl)butane-1,4-diol trinitrate

Systemtic Name: 2-(hydroxymethyl)butane-1,4-diol trinitrate Openeye Name: 2-(hydroxymethyl)butane-1,4-diol trinitrate CAS Name: 2-(hydroxymethyl)butane-1,4-diol trinitrate IUPAC Name: 2-(hydroxymethyl)butane-1,4-diol trinitrate Traditional Name: 2-methylolbutane-1,4-diol trinitrate Formula: C5H12N3O12-3 MolecularWeight: 306.16168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O3.3NO3/c6-2-1-5(3-7)4-8;3*2-1(3)4/h5-8H,1-4H2;;;/q;3*-1