3,4,4-trinitrobutan-1-ol

Systemtic Name: 3,4,4-trinitrobutan-1-ol Openeye Name: 3,4,4-trinitrobutan-1-ol CAS Name: 3,4,4-trinitro-1-butanol IUPAC Name: 3,4,4-trinitrobutan-1-ol Traditional Name: 3,4,4-trinitrobutan-1-ol Formula: C4H7N3O7 MolecularWeight: 209.11428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H7N3O7/c8-2-1-3(5(9)10)4(6(11)12)7(13)14/h3-4,8H,1-2H2