2,4,6-trinitrocyclohexan-1-one

Systemtic Name: 2,4,6-trinitrocyclohexan-1-one Openeye Name: 2,4,6-trinitrocyclohexanone CAS Name: 2,4,6-trinitro-1-cyclohexanone IUPAC Name: 2,4,6-trinitrocyclohexan-1-one Traditional Name: 2,4,6-trinitrocyclohexanone Formula: C6H7N3O7 MolecularWeight: 233.13568

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(=O)C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(CC(C(=O)C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,1-2H2