azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide

Systemtic Name: azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide Openeye Name: ammonium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide CAS Name: ammonium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)-1-cyclohexa-2,5-dienylidene]azanide IUPAC Name: azanium [2,4,6-trinitro-3-(2,4,6-trinitrophenyl)cyclohexa-2,5-dien-1-ylidene]azanide Traditional Name: ammonium (2,4,6-trinitro-3-picryl-cyclohexa-2,5-dien-1-ylidene)azanide Formula: C12H8N8O12 MolecularWeight: 456.23832

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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-].[NH4+]

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-].[NH4+]

InChI

InChI=1S/C12H4N7O12.H3N/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;/h1-3,7H;1H3/q-1;/p+1