2-(3-tert-butyl-1,2,3,4-tetrazol-1-ium-1-yl)benzoate

Systemtic Name: 2-(3-tert-butyl-1,2,3,4-tetrazol-1-ium-1-yl)benzoate Openeye Name: 2-(3-tert-butyltetrazol-1-ium-1-yl)benzoate CAS Name: 2-(3-tert-butyl-1-tetrazol-1-iumyl)benzoate IUPAC Name: 2-(3-tert-butyltetrazol-1-ium-1-yl)benzoate Traditional Name: 2-(3-tert-butyltetrazol-1-ium-1-yl)benzoate Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1N=C[N+](=N1)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC(C)(C)N1N=C[N+](=N1)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C12H14N4O2/c1-12(2,3)16-13-8-15(14-16)10-7-5-4-6-9(10)11(17)18/h4-8H,1-3H3