trinitro-[tris(trinitromethoxy)methoxy]methane

Systemtic Name: trinitro-[tris(trinitromethoxy)methoxy]methane Openeye Name: trinitro-[tris(trinitromethoxy)methoxy]methane CAS Name: trinitro-[tris(trinitromethoxy)methoxy]methane IUPAC Name: trinitro-[tris(trinitromethoxy)methoxy]methane Traditional Name: trinitro-[tris(trinitromethoxy)methoxy]methane Formula: C5N12O28 MolecularWeight: 676.1171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5N12O28/c18-6(19)1(7(20)21,8(22)23)42-5(43-2(9(24)25,10(26)27)11(28)29,44-3(12(30)31,13(32)33)14(34)35)45-4(15(36)37,16(38)39)17(40)41