[1,2,4-trinitrooxy-5,6-bis(oxidanyl)hexan-3-yl] nitrate

Systemtic Name: [1,2,4-trinitrooxy-5,6-bis(oxidanyl)hexan-3-yl] nitrate Openeye Name: [4,5-dihydroxy-2,3-dinitrooxy-1-(nitrooxymethyl)pentyl] nitrate CAS Name: nitric acid (1,2-dihydroxy-4,5,6-trinitrooxyhexan-3-yl) ester IUPAC Name: (1,2-dihydroxy-4,5,6-trinitrooxyhexan-3-yl) nitrate Traditional Name: nitric acid [4,5-dihydroxy-2,3-dinitrooxy-1-(nitrooxymethyl)pentyl] ester Formula: C6H10N4O14 MolecularWeight: 362.162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10N4O14/c11-1-3(12)5(23-9(17)18)6(24-10(19)20)4(22-8(15)16)2-21-7(13)14/h3-6,11-12H,1-2H2