5-methoxy-1,3,5-trinitro-cyclohexa-1,3-diene

Systemtic Name: 5-methoxy-1,3,5-trinitro-cyclohexa-1,3-diene Openeye Name: 5-methoxy-1,3,5-trinitro-cyclohexa-1,3-diene CAS Name: 5-methoxy-1,3,5-trinitrocyclohexa-1,3-diene IUPAC Name: 5-methoxy-1,3,5-trinitrocyclohexa-1,3-diene Traditional Name: 5-methoxy-1,3,5-trinitro-cyclohexa-1,3-diene Formula: C7H7N3O7 MolecularWeight: 245.14638

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1(CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O7/c1-17-7(10(15)16)3-5(8(11)12)2-6(4-7)9(13)14/h2-3H,4H2,1H3