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

Systemtic Name: 2-[5-(4-heptylphenyl)-1,2,3,4-tetrazol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-heptylphenyl)tetrazol-1-yl]acetic acid CAS Name: 2-[5-(4-heptylphenyl)-1-tetrazolyl]acetic acid IUPAC Name: 2-[5-(4-heptylphenyl)tetrazol-1-yl]acetic acid Traditional Name: 2-[5-(4-heptylphenyl)tetrazol-1-yl]acetic acid Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=NN2CC(=O)O

InChI

InChI=1S/C16H22N4O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)16-17-18-19-20(16)12-15(21)22/h8-11H,2-7,12H2,1H3,(H,21,22)