3-phenyl-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-1-ium-5-olate

Systemtic Name: 3-phenyl-1-(2,4,6-trimethylphenyl)-1,2,3,4-tetrazol-1-ium-5-olate Openeye Name: 3-phenyl-1-(2,4,6-trimethylphenyl)tetrazol-1-ium-5-olate CAS Name: 3-phenyl-1-(2,4,6-trimethylphenyl)-5-tetrazol-1-iumolate IUPAC Name: 3-phenyl-1-(2,4,6-trimethylphenyl)tetrazol-1-ium-5-olate Traditional Name: 1-mesityl-3-phenyl-tetrazol-1-ium-5-olate Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[N+]2=NN(N=C2[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[N+]2=NN(N=C2[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C16H16N4O/c1-11-9-12(2)15(13(3)10-11)19-16(21)17-20(18-19)14-7-5-4-6-8-14/h4-10H,1-3H3