(E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-ethenolate

Systemtic Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-ethenolate CAS Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonylethenolate Traditional Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-isobutyryloxyphenyl)sulfonyl-ethenolate Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=C([N+]#N)S(=O)(=O)C2=CC=C(C=C2)OC(=O)C(C)C)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=C(/[N+]#N)\S(=O)(=O)C2=CC=C(C=C2)OC(=O)C(C)C)/[O-])C

InChI

InChI=1S/C20H20N2O5S/c1-12(2)20(24)27-15-6-8-16(9-7-15)28(25,26)19(22-21)18(23)17-10-5-13(3)11-14(17)4/h5-12H,1-4H3/b19-18+