azane; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene

Systemtic Name: azane; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene Openeye Name: ammonia; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene CAS Name: ammonia; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene IUPAC Name: azane; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene Traditional Name: ammonia; 1,3,5-trinitro-2-[3-(2,4,6-trinitrophenoxy)phenoxy]benzene Formula: C18H14N8O14 MolecularWeight: 566.34896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].N.N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].N.N

InChI

InChI=1S/C18H8N6O14.2H3N/c25-19(26)9-4-13(21(29)30)17(14(5-9)22(31)32)37-11-2-1-3-12(8-11)38-18-15(23(33)34)6-10(20(27)28)7-16(18)24(35)36;;/h1-8H;2*1H3