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

Systemtic Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate CAS Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-[4-(1-oxopropoxy)phenyl]sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-propanoyloxyphenyl)sulfonylethenolate Traditional Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-propionyloxyphenyl)sulfonyl-ethenolate Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C19H18N2O5S/c1-4-17(22)26-14-6-8-15(9-7-14)27(24,25)19(21-20)18(23)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3/b19-18+