phenyl 2-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanesulfonate CAS Name: 2-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanesulfonate Traditional Name: 2-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H16N4O4S2 MolecularWeight: 392.45264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4S2/c1-23-15-10-6-5-9-14(15)20-16(17-18-19-20)25-11-12-26(21,22)24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3