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

Systemtic Name: 2-[5-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-(3,5-dimethylphenyl)-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetic acid Formula: C11H12N4O2 MolecularWeight: 232.23858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=NN2CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=NN2CC(=O)O)C

InChI

InChI=1S/C11H12N4O2/c1-7-3-8(2)5-9(4-7)11-12-13-14-15(11)6-10(16)17/h3-5H,6H2,1-2H3,(H,16,17)