9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine

Systemtic Name: 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine Openeye Name: 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine CAS Name: 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecin IUPAC Name: 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecine Traditional Name: 9,10,11-trinitro-2,3,4,5,6,7-hexahydro-1,8-benzodioxecin Formula: C12H13N3O8 MolecularWeight: 327.24692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCOC2=C(C=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OCC1

Isomeric SMILES

C1CCCOC2=C(C=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OCC1

InChI

InChI=1S/C12H13N3O8/c16-13(17)8-7-9-12(11(15(20)21)10(8)14(18)19)23-6-4-2-1-3-5-22-9/h7H,1-6H2