(1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]hexa-1,5-dien-1-olate

Systemtic Name: (1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]hexa-1,5-dien-1-olate Openeye Name: (1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]hexa-1,5-dien-1-olate CAS Name: (1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]-1-hexa-1,5-dienolate IUPAC Name: (1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]hexa-1,5-dien-1-olate Traditional Name: (1E)-2-diazonio-1-[2-(2-phenylethynyl)phenyl]hexa-1,5-dien-1-olate Formula: C20H16N2O MolecularWeight: 300.35384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=C(C1=CC=CC=C1C#CC2=CC=CC=C2)[O-])[N+]#N

Isomeric SMILES

C=CCC/C(=C(/C1=CC=CC=C1C#CC2=CC=CC=C2)\[O-])/[N+]#N

InChI

InChI=1S/C20H16N2O/c1-2-3-13-19(22-21)20(23)18-12-8-7-11-17(18)15-14-16-9-5-4-6-10-16/h2,4-12H,1,3,13H2/b20-19+