benzotriazol-1-yl 2-nitrobenzenesulfonate

Systemtic Name: benzotriazol-1-yl 2-nitrobenzenesulfonate Openeye Name: benzotriazol-1-yl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid benzotriazol-1-yl ester Formula: C12H8N4O5S MolecularWeight: 320.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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