2-[(2,4-dinitrophenyl)amino]benzenesulfonate

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]benzenesulfonate Openeye Name: 2-(2,4-dinitroanilino)benzenesulfonate CAS Name: 2-(2,4-dinitroanilino)benzenesulfonate IUPAC Name: 2-(2,4-dinitroanilino)benzenesulfonate Traditional Name: 2-(2,4-dinitroanilino)besylate Formula: C12H8N3O7S- MolecularWeight: 338.27282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C12H9N3O7S/c16-14(17)8-5-6-9(11(7-8)15(18)19)13-10-3-1-2-4-12(10)23(20,21)22/h1-7,13H,(H,20,21,22)/p-1