benzotriazole-1-sulfonic acid; nitrobenzene

Systemtic Name: benzotriazole-1-sulfonic acid; nitrobenzene Openeye Name: benzotriazole-1-sulfonic acid; nitrobenzene CAS Name: 1-benzotriazolesulfonic acid; nitrobenzene IUPAC Name: benzotriazole-1-sulfonic acid; nitrobenzene Traditional Name: benzotriazole-1-sulfonic acid; nitrobenzene Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C2C(=C1)N=NN2S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C2C(=C1)N=NN2S(=O)(=O)O

InChI

InChI=1S/C6H5N3O3S.C6H5NO2/c10-13(11,12)9-6-4-2-1-3-5(6)7-8-9;8-7(9)6-4-2-1-3-5-6/h1-4H,(H,10,11,12);1-5H