benzotriazol-1-yl 4-nitrobenzenesulfonate

Systemtic Name: benzotriazol-1-yl 4-nitrobenzenesulfonate Openeye Name: benzotriazol-1-yl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid benzotriazol-1-yl ester Formula: C12H8N4O5S MolecularWeight: 320.28072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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