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

Systemtic Name: 2-(4-tert-butyl-1,2,3,4-tetrazol-4-ium-1-yl)benzoic acid Openeye Name: 2-(4-tert-butyltetrazol-4-ium-1-yl)benzoic acid CAS Name: 2-(4-tert-butyl-1-tetrazol-4-iumyl)benzoic acid IUPAC Name: 2-(4-tert-butyltetrazol-4-ium-1-yl)benzoic acid Traditional Name: 2-(4-tert-butyltetrazol-4-ium-1-yl)benzoic acid Formula: C12H15N4O2+ MolecularWeight: 247.2731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(C)[N+]1=CN(N=N1)C2=CC=CC=C2C(=O)O

InChI

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