1-oxidanidyl-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium

Systemtic Name: 1-oxidanidyl-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium Openeye Name: 1-oxido-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium CAS Name: 1-oxido-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium IUPAC Name: 1-oxido-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium Traditional Name: 1-oxido-3,6-bis(3,3,3-triphenylprop-1-ynyl)pyridazin-1-ium Formula: C46H32N2O MolecularWeight: 628.75908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CC2=N[N+](=C(C=C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-])(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C#CC2=N[N+](=C(C=C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-])(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C46H32N2O/c49-48-44(34-36-46(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42)32-31-43(47-48)33-35-45(37-19-7-1-8-20-37,38-21-9-2-10-22-38)39-23-11-3-12-24-39/h1-32H