(E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-ethenolate

Systemtic Name: (E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-ethenolate Openeye Name: (E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-ethenolate CAS Name: (E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonioethenolate IUPAC Name: (E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonioethenolate Traditional Name: (E)-1-(4-tert-butylphenyl)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-ethenolate Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=C(C2=CC=C(C=C2)C(C)(C)C)[O-])[N+]#N

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C2=CC=C(C=C2)C(C)(C)C)/[O-])/[N+]#N

InChI

InChI=1S/C22H26N2O6S2/c1-5-6-15-31(26,27)30-18-11-13-19(14-12-18)32(28,29)21(24-23)20(25)16-7-9-17(10-8-16)22(2,3)4/h7-14H,5-6,15H2,1-4H3/b21-20+