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

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC(=C2)N3C=NN=N3

InChI

InChI=1S/C14H11N5O5S/c1-10-5-6-12(19(20)21)8-14(10)25(22,23)24-13-4-2-3-11(7-13)18-9-15-16-17-18/h2-9H,1H3