2-bromanyl-1,3,5-trinitro-4-[(2,4,6-trinitrophenyl)methyl]benzene

Systemtic Name: 2-bromanyl-1,3,5-trinitro-4-[(2,4,6-trinitrophenyl)methyl]benzene Openeye Name: 2-bromo-1,3,5-trinitro-4-[(2,4,6-trinitrophenyl)methyl]benzene CAS Name: 2-bromo-1,3,5-trinitro-4-[(2,4,6-trinitrophenyl)methyl]benzene IUPAC Name: 2-bromo-1,3,5-trinitro-4-[(2,4,6-trinitrophenyl)methyl]benzene Traditional Name: 2-bromo-1,3,5-trinitro-4-(2,4,6-trinitrobenzyl)benzene Formula: C13H5BrN6O12 MolecularWeight: 517.1158

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])CC2=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-])CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5BrN6O12/c14-12-11(19(29)30)4-10(18(27)28)7(13(12)20(31)32)3-6-8(16(23)24)1-5(15(21)22)2-9(6)17(25)26/h1-2,4H,3H2