(2-butan-2-yl-3,4,6-trinitro-phenyl) trifluoromethyl carbonate

Systemtic Name: (2-butan-2-yl-3,4,6-trinitro-phenyl) trifluoromethyl carbonate Openeye Name: trifluoromethyl (3,4,6-trinitro-2-sec-butyl-phenyl) carbonate CAS Name: carbonic acid (2-butan-2-yl-3,4,6-trinitrophenyl) trifluoromethyl ester IUPAC Name: (2-butan-2-yl-3,4,6-trinitrophenyl) trifluoromethyl carbonate Traditional Name: carbonic acid trifluoromethyl (3,4,6-trinitro-2-sec-butyl-phenyl) ester Formula: C12H10F3N3O9 MolecularWeight: 397.21771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=CC(=C1OC(=O)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=C(C(=CC(=C1OC(=O)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10F3N3O9/c1-3-5(2)8-9(18(24)25)6(16(20)21)4-7(17(22)23)10(8)26-11(19)27-12(13,14)15/h4-5H,3H2,1-2H3