2,5-dimethyl-4,4-dinitro-5-phenyl-hexan-3-one

Systemtic Name: 2,5-dimethyl-4,4-dinitro-5-phenyl-hexan-3-one Openeye Name: 2,5-dimethyl-4,4-dinitro-5-phenyl-hexan-3-one CAS Name: 2,5-dimethyl-4,4-dinitro-5-phenyl-3-hexanone IUPAC Name: 2,5-dimethyl-4,4-dinitro-5-phenylhexan-3-one Traditional Name: 2,5-dimethyl-4,4-dinitro-5-phenyl-hexan-3-one Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-10(2)12(17)14(15(18)19,16(20)21)13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3