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

Systemtic Name: 1,2-didiazohexane; (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; 1,2-didiazohexane CAS Name: 1,2-didiazohexane; (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; 1,2-didiazohexane Traditional Name: (1E,4E)-3-benzyl-1,5-didiazonio-penta-1,4-diene-2,4-diolate; 1,2-didiazohexane Formula: C18H20N8O2 MolecularWeight: 380.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2.C6H10N4/c13-15-7-11(17)10(12(18)8-16-14)6-9-4-2-1-3-5-9;1-2-3-4-6(10-8)5-9-7/h1-5,7-8,10H,6H2;5H,2-4H2,1H3/b11-7+,12-8+;