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

Systemtic Name: 4-[2-(3-iodanylprop-2-ynyl)-1,2,3,4-tetrazol-5-yl]benzoic acid Openeye Name: 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid CAS Name: 4-[2-(3-iodoprop-2-ynyl)-5-tetrazolyl]benzoic acid IUPAC Name: 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid Traditional Name: 4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]benzoic acid Formula: C11H7IN4O2 MolecularWeight: 354.10335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(N=N2)CC#CI)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NN(N=N2)CC#CI)C(=O)O

InChI

InChI=1S/C11H7IN4O2/c12-6-1-7-16-14-10(13-15-16)8-2-4-9(5-3-8)11(17)18/h2-5H,7H2,(H,17,18)