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

Systemtic Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-ethylsulfonyloxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-ethylsulfonyloxyphenyl)sulfonyl-ethenolate CAS Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-ethylsulfonyloxyphenyl)sulfonylethenolate IUPAC Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-ethylsulfonyloxyphenyl)sulfonylethenolate Traditional Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-esyloxyphenyl)sulfonyl-ethenolate Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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

CCS(=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/C20H22N2O6S2/c1-5-29(24,25)28-16-10-12-17(13-11-16)30(26,27)19(22-21)18(23)14-6-8-15(9-7-14)20(2,3)4/h6-13H,5H2,1-4H3/b19-18+