3-diazo-5,6-didiazonio-2-[2-(phenylcarbonyl)phenyl]sulfonyl-2H-naphthalene-1,4-diolate

Systemtic Name: 3-diazo-5,6-didiazonio-2-[2-(phenylcarbonyl)phenyl]sulfonyl-2H-naphthalene-1,4-diolate Openeye Name: 2-(2-benzoylphenyl)sulfonyl-3-diazo-5,6-didiazonio-2H-naphthalene-1,4-diolate CAS Name: 2-(2-benzoylphenyl)sulfonyl-3-diazo-5,6-didiazonio-2H-naphthalene-1,4-diolate IUPAC Name: 2-(2-benzoylphenyl)sulfonyl-3-diazo-5,6-didiazonio-2H-naphthalene-1,4-diolate Traditional Name: 2-(2-benzoylphenyl)sulfonyl-3-diazo-5,6-didiazonio-2H-naphthalene-1,4-diolate Formula: C23H12N6O5S MolecularWeight: 484.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2S(=O)(=O)C3C(=C4C=CC(=C(C4=C(C3=[N+]=[N-])[O-])[N+]#N)[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2S(=O)(=O)C3C(=C4C=CC(=C(C4=C(C3=[N+]=[N-])[O-])[N+]#N)[N+]#N)[O-]

InChI

InChI=1S/C23H12N6O5S/c24-27-15-11-10-14-17(18(15)28-25)22(32)19(29-26)23(21(14)31)35(33,34)16-9-5-4-8-13(16)20(30)12-6-2-1-3-7-12/h1-11,23H