4,4,4-trinitro-1-phenyl-butan-1-one

Systemtic Name: 4,4,4-trinitro-1-phenyl-butan-1-one Openeye Name: 4,4,4-trinitro-1-phenyl-butan-1-one CAS Name: 4,4,4-trinitro-1-phenyl-1-butanone IUPAC Name: 4,4,4-trinitro-1-phenylbutan-1-one Traditional Name: 4,4,4-trinitro-1-phenyl-butan-1-one Formula: C10H9N3O7 MolecularWeight: 283.19436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O7/c14-9(8-4-2-1-3-5-8)6-7-10(11(15)16,12(17)18)13(19)20/h1-5H,6-7H2