nitro nitrate; 1,1,2,3,3-pentanitro-2,3-diphenoxy-propan-1-ol

Systemtic Name: nitro nitrate; 1,1,2,3,3-pentanitro-2,3-diphenoxy-propan-1-ol Openeye Name: nitro nitrate; 1,1,2,3,3-pentanitro-2,3-diphenoxy-propan-1-ol CAS Name: nitric acid nitro ester; 1,1,2,3,3-pentanitro-2,3-diphenoxy-1-propanol IUPAC Name: nitro nitrate; 1,1,2,3,3-pentanitro-2,3-diphenoxypropan-1-ol Traditional Name: nitric acid nitro ester; 1,1,2,3,3-pentanitro-2,3-diphenoxy-propan-1-ol Formula: C15H11N7O18 MolecularWeight: 577.28394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(C([N+](=O)[O-])([N+](=O)[O-])O)(C([N+](=O)[O-])([N+](=O)[O-])OC2=CC=CC=C2)[N+](=O)[O-].[N+](=O)([O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(C([N+](=O)[O-])([N+](=O)[O-])O)(C([N+](=O)[O-])([N+](=O)[O-])OC2=CC=CC=C2)[N+](=O)[O-].[N+](=O)([O-])O[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O13.N2O5/c21-14(17(24)25,18(26)27)13(16(22)23,32-11-7-3-1-4-8-11)15(19(28)29,20(30)31)33-12-9-5-2-6-10-12;3-1(4)7-2(5)6/h1-10,21H;