3-tert-butyl-5-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid

Systemtic Name: 3-tert-butyl-5-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid Openeye Name: 3-tert-butyl-5-(2H-tetrazol-5-yl)benzoic acid CAS Name: 3-tert-butyl-5-(2H-tetrazol-5-yl)benzoic acid IUPAC Name: 3-tert-butyl-5-(2H-tetrazol-5-yl)benzoic acid Traditional Name: 3-tert-butyl-5-(2H-tetrazol-5-yl)benzoic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C2=NNN=N2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C2=NNN=N2

InChI

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