(3,5,7-trinitro-1-adamantyl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (3,5,7-trinitro-1-adamantyl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (3,5,7-trinitro-1-adamantyl) 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid (3,5,7-trinitro-1-adamantyl) ester IUPAC Name: (3,5,7-trinitro-1-adamantyl) 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid (3,5,7-trinitro-1-adamantyl) ester Formula: C12H12F3N3O8 MolecularWeight: 383.23419

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)OC(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)OC(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N3O8/c13-12(14,15)7(19)26-11-4-8(16(20)21)1-9(5-11,17(22)23)3-10(2-8,6-11)18(24)25/h1-6H2