(3,5,7-trinitro-1-adamantyl) ethanoate

Systemtic Name: (3,5,7-trinitro-1-adamantyl) ethanoate Openeye Name: (3,5,7-trinitro-1-adamantyl) acetate CAS Name: acetic acid (3,5,7-trinitro-1-adamantyl) ester IUPAC Name: (3,5,7-trinitro-1-adamantyl) acetate Traditional Name: acetic acid (3,5,7-trinitro-1-adamantyl) ester Formula: C12H15N3O8 MolecularWeight: 329.2628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O8/c1-8(16)23-12-5-9(13(17)18)2-10(6-12,14(19)20)4-11(3-9,7-12)15(21)22/h2-7H2,1H3