[2,2-bis(hydroxymethyl)-1,1,3-trinitro-3-oxidanyl-propyl] nitrate

Systemtic Name: [2,2-bis(hydroxymethyl)-1,1,3-trinitro-3-oxidanyl-propyl] nitrate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)-1,1,3-trinitro-propyl] nitrate CAS Name: nitric acid [3-hydroxy-2,2-bis(hydroxymethyl)-1,1,3-trinitropropyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)-1,1,3-trinitropropyl] nitrate Traditional Name: nitric acid (3-hydroxy-2,2-dimethylol-1,1,3-trinitro-propyl) ester Formula: C5H8N4O12 MolecularWeight: 316.13662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8N4O12/c10-1-4(2-11,3(12)6(13)14)5(7(15)16,8(17)18)21-9(19)20/h3,10-12H,1-2H2