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

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5S/c1-10-6-13(20(21)22)8-15(11(10)2)26(23,24)25-14-5-3-4-12(7-14)19-9-16-17-18-19/h3-9H,1-2H3