[3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-methoxy-5-nitro-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H11N5O6S MolecularWeight: 377.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C14H11N5O6S/c1-24-13-6-5-11(19(20)21)8-14(13)26(22,23)25-12-4-2-3-10(7-12)18-9-15-16-17-18/h2-9H,1H3