1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane

Systemtic Name: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane Openeye Name: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane CAS Name: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane IUPAC Name: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane Traditional Name: 1,1,1-trinitro-2-[tris(2,2,2-trinitroethoxy)methoxy]ethane Formula: C9H8N12O28 MolecularWeight: 732.22342

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Descriptors Computed from Structure

Canonical SMILES:

C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N12O28/c22-10(23)5(11(24)25,12(26)27)1-46-9(47-2-6(13(28)29,14(30)31)15(32)33,48-3-7(16(34)35,17(36)37)18(38)39)49-4-8(19(40)41,20(42)43)21(44)45/h1-4H2