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

Systemtic Name: (E)-2-diazonio-1-(4-methylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-2-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-1-(p-tolyl)ethenolate CAS Name: (E)-2-diazonio-2-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonyl-1-(4-methylphenyl)ethenolate IUPAC Name: (E)-2-diazonio-1-(4-methylphenyl)-2-[4-(2-methylpropanoyloxy)phenyl]sulfonylethenolate Traditional Name: (E)-2-diazonio-2-(4-isobutyryloxyphenyl)sulfonyl-1-(p-tolyl)ethenolate Formula: C19H18N2O5S MolecularWeight: 386.42162

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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-]

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-]

InChI

InChI=1S/C19H18N2O5S/c1-12(2)19(23)26-15-8-10-16(11-9-15)27(24,25)18(21-20)17(22)14-6-4-13(3)5-7-14/h4-12H,1-3H3/b18-17+