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

Systemtic Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-ethylsulfonyloxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-ethylsulfonyloxyphenyl)sulfonyl-ethenolate CAS Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-ethylsulfonyloxyphenyl)sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-ethylsulfonyloxyphenyl)sulfonylethenolate Traditional Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-esyloxyphenyl)sulfonyl-ethenolate Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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

CCS(=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/C18H18N2O6S2/c1-4-27(22,23)26-14-6-8-15(9-7-14)28(24,25)18(20-19)17(21)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3/b18-17+