2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene

Systemtic Name: 2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene Openeye Name: 2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene CAS Name: 2-methyl-1,3,5-trinitrocyclohexa-1,3-diene IUPAC Name: 2-methyl-1,3,5-trinitrocyclohexa-1,3-diene Traditional Name: 2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene Formula: C7H6N3O6- MolecularWeight: 228.13904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C[C-](C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C[C-](C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2H,3H2,1H3/q-1