(E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate

Systemtic Name: (E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate Openeye Name: (E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate CAS Name: (E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate IUPAC Name: (E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate Traditional Name: (E)-2-(4-butylsulfonyloxyphenyl)sulfonyl-2-diazonio-1-(2,4-dimethylphenyl)ethenolate Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S2/c1-4-5-12-29(24,25)28-16-7-9-17(10-8-16)30(26,27)20(22-21)19(23)18-11-6-14(2)13-15(18)3/h6-11,13H,4-5,12H2,1-3H3/b20-19+