(6-nitrobenzotriazol-1-yl) benzenesulfonate

Systemtic Name: (6-nitrobenzotriazol-1-yl) benzenesulfonate Openeye Name: (6-nitrobenzotriazol-1-yl) benzenesulfonate CAS Name: benzenesulfonic acid (6-nitro-1-benzotriazolyl) ester IUPAC Name: (6-nitrobenzotriazol-1-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (6-nitrobenzotriazol-1-yl) ester Formula: C12H8N4O5S MolecularWeight: 320.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C12H8N4O5S/c17-16(18)9-6-7-11-12(8-9)15(14-13-11)21-22(19,20)10-4-2-1-3-5-10/h1-8H