(1E,4E)-1,5-didiazonio-3-(phenylmethyl)penta-1,4-diene-2,4-diolate

Systemtic Name: (1E,4E)-1,5-didiazonio-3-(phenylmethyl)penta-1,4-diene-2,4-diolate Openeye Name: (1E,4E)-3-benzyl-1,5-didiazonio-penta-1,4-diene-2,4-diolate CAS Name: (1E,4E)-1,5-didiazonio-3-(phenylmethyl)penta-1,4-diene-2,4-diolate IUPAC Name: (1E,4E)-3-benzyl-1,5-didiazoniopenta-1,4-diene-2,4-diolate Traditional Name: (1E,4E)-3-benzyl-1,5-didiazonio-penta-1,4-diene-2,4-diolate Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CC(/C(=C\[N+]#N)/[O-])/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C12H10N4O2/c13-15-7-11(17)10(12(18)8-16-14)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/b11-7+,12-8+