[4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-(tetrazol-1-yl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C13H9N5O5S MolecularWeight: 347.30606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O5S/c19-18(20)12-3-1-2-4-13(12)24(21,22)23-11-7-5-10(6-8-11)17-9-14-15-16-17/h1-9H