4-[[1-(2-acetyloxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[1-(2-acetyloxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoic acid Openeye Name: 4-[1-(2-acetoxyphenyl)tetrazol-5-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(2-acetyloxyphenyl)-5-tetrazolyl]thio]butanoic acid IUPAC Name: 4-[1-(2-acetyloxyphenyl)tetrazol-5-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(2-acetoxyphenyl)tetrazol-5-yl]thio]butyric acid Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1N2C(=NN=N2)SCCCC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1N2C(=NN=N2)SCCCC(=O)O

InChI

InChI=1S/C13H14N4O4S/c1-9(18)21-11-6-3-2-5-10(11)17-13(14-15-16-17)22-8-4-7-12(19)20/h2-3,5-6H,4,7-8H2,1H3,(H,19,20)