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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

InChI

InChI=1S/C13H16N4O2/c1-2-3-4-10-5-7-11(8-6-10)13-14-15-16-17(13)9-12(18)19/h5-8H,2-4,9H2,1H3,(H,18,19)