2-[5-(4-tert-butylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-tert-butylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]acetic acid CAS Name: 2-[5-(4-tert-butylphenyl)-2-tetrazolyl]acetic acid IUPAC Name: 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]acetic acid Traditional Name: 2-[5-(4-tert-butylphenyl)tetrazol-2-yl]acetic acid Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)O

InChI

InChI=1S/C13H16N4O2/c1-13(2,3)10-6-4-9(5-7-10)12-14-16-17(15-12)8-11(18)19/h4-7H,8H2,1-3H3,(H,18,19)