2,3,6-trinitrocyclohexa-1,4-diene-1,3,5-triamine

Systemtic Name: 2,3,6-trinitrocyclohexa-1,4-diene-1,3,5-triamine Openeye Name: 2,3,6-trinitrocyclohexa-1,4-diene-1,3,5-triamine CAS Name: 2,3,6-trinitrocyclohexa-1,4-diene-1,3,5-triamine IUPAC Name: 2,3,6-trinitrocyclohexa-1,4-diene-1,3,5-triamine Traditional Name: (3,5-diamino-1,2,4-trinitro-cyclohexa-2,5-dien-1-yl)amine Formula: C6H8N6O6 MolecularWeight: 260.16432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N6O6/c7-2-1-6(9,12(17)18)5(11(15)16)3(8)4(2)10(13)14/h1,4H,7-9H2