2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-imine

Systemtic Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-imine Openeye Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-imine CAS Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)-1-cyclohexa-2,5-dienimine IUPAC Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-imine Traditional Name: (2,4,6-trinitro-3-picryl-cyclohexa-2,5-dien-1-ylidene)amine Formula: C12H5N7O12 MolecularWeight: 439.2078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H5N7O12/c13-11-8(18(28)29)3-7(17(26)27)10(12(11)19(30)31)9-5(15(22)23)1-4(14(20)21)2-6(9)16(24)25/h1-3,7,13H