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

Systemtic Name: 3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenesulfonate Openeye Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzenesulfonate CAS Name: 3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzenesulfonate IUPAC Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzenesulfonate Traditional Name: 3-nitro-4-[(1-phenyltetrazol-5-yl)thio]besylate Formula: C13H8N5O5S2- MolecularWeight: 378.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5S2/c19-18(20)11-8-10(25(21,22)23)6-7-12(11)24-13-14-15-16-17(13)9-4-2-1-3-5-9/h1-8H,(H,21,22,23)/p-1