(3-bromanyl-2,4,6-trinitro-phenyl)-(2,4,6-trinitrophenyl)methanone

Systemtic Name: (3-bromanyl-2,4,6-trinitro-phenyl)-(2,4,6-trinitrophenyl)methanone Openeye Name: (3-bromo-2,4,6-trinitro-phenyl)-(2,4,6-trinitrophenyl)methanone CAS Name: (3-bromo-2,4,6-trinitrophenyl)-(2,4,6-trinitrophenyl)methanone IUPAC Name: (3-bromo-2,4,6-trinitrophenyl)-(2,4,6-trinitrophenyl)methanone Traditional Name: (3-bromo-2,4,6-trinitro-phenyl)-picryl-methanone Formula: C13H3BrN6O13 MolecularWeight: 531.09932

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)C2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H3BrN6O13/c14-11-8(19(30)31)3-7(18(28)29)10(12(11)20(32)33)13(21)9-5(16(24)25)1-4(15(22)23)2-6(9)17(26)27/h1-3H