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

Systemtic Name: 2-[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]ethanoic acid Openeye Name: 2-[2-(1-methyl-1-phenyl-ethyl)tetrazol-5-yl]acetic acid CAS Name: 2-[2-(2-phenylpropan-2-yl)-5-tetrazolyl]acetic acid IUPAC Name: 2-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]acetic acid Traditional Name: 2-(2-cumyltetrazol-5-yl)acetic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)CC(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)N2N=C(N=N2)CC(=O)O

InChI

InChI=1S/C12H14N4O2/c1-12(2,9-6-4-3-5-7-9)16-14-10(13-15-16)8-11(17)18/h3-7H,8H2,1-2H3,(H,17,18)