2,5-dimethoxy-1,5,6-trinitro-cyclohexa-1,3-diene

Systemtic Name: 2,5-dimethoxy-1,5,6-trinitro-cyclohexa-1,3-diene Openeye Name: 2,5-dimethoxy-1,5,6-trinitro-cyclohexa-1,3-diene CAS Name: 2,5-dimethoxy-1,5,6-trinitrocyclohexa-1,3-diene IUPAC Name: 2,5-dimethoxy-1,5,6-trinitrocyclohexa-1,3-diene Traditional Name: 2,5-dimethoxy-1,5,6-trinitro-cyclohexa-1,3-diene Formula: C8H9N3O8 MolecularWeight: 275.17236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(C(C=C1)([N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(C(C=C1)([N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O8/c1-18-5-3-4-8(19-2,11(16)17)7(10(14)15)6(5)9(12)13/h3-4,7H,1-2H3