1,3,3-trinitrobutan-2-ylbenzene

Systemtic Name: 1,3,3-trinitrobutan-2-ylbenzene Openeye Name: [2,2-dinitro-1-(nitromethyl)propyl]benzene CAS Name: 1,3,3-trinitrobutan-2-ylbenzene IUPAC Name: 1,3,3-trinitrobutan-2-ylbenzene Traditional Name: [2,2-dinitro-1-(nitromethyl)propyl]benzene Formula: C10H11N3O6 MolecularWeight: 269.21084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O6/c1-10(12(16)17,13(18)19)9(7-11(14)15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3