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

Systemtic Name: phenyl 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanesulfonate Openeye Name: phenyl 2-[5-(p-tolyl)tetrazol-2-yl]ethanesulfonate CAS Name: 2-[5-(4-methylphenyl)-2-tetrazolyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-methylphenyl)tetrazol-2-yl]ethanesulfonate Traditional Name: 2-[5-(p-tolyl)tetrazol-2-yl]ethanesulfonic acid phenyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-13-7-9-14(10-8-13)16-17-19-20(18-16)11-12-24(21,22)23-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3