3-[5-(3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrazol-1-yl]benzoic acid

Systemtic Name: 3-[5-(3,5-dimethylpyrazol-1-yl)-1,2,3,4-tetrazol-1-yl]benzoic acid Openeye Name: 3-[5-(3,5-dimethylpyrazol-1-yl)tetrazol-1-yl]benzoic acid CAS Name: 3-[5-(3,5-dimethyl-1-pyrazolyl)-1-tetrazolyl]benzoic acid IUPAC Name: 3-[5-(3,5-dimethylpyrazol-1-yl)tetrazol-1-yl]benzoic acid Traditional Name: 3-[5-(3,5-dimethylpyrazol-1-yl)tetrazol-1-yl]benzoic acid Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=NN2C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=NN2C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C13H12N6O2/c1-8-6-9(2)18(15-8)13-14-16-17-19(13)11-5-3-4-10(7-11)12(20)21/h3-7H,1-2H3,(H,20,21)