(E)-2-diazonio-1-(4-methylphenyl)-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate

Systemtic Name: (E)-2-diazonio-1-(4-methylphenyl)-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-2-(4-propanoyloxyphenyl)sulfonyl-1-(p-tolyl)ethenolate CAS Name: (E)-2-diazonio-1-(4-methylphenyl)-2-[4-(1-oxopropoxy)phenyl]sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-(4-methylphenyl)-2-(4-propanoyloxyphenyl)sulfonylethenolate Traditional Name: (E)-2-diazonio-2-(4-propionyloxyphenyl)sulfonyl-1-(p-tolyl)ethenolate Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-3-16(21)25-14-8-10-15(11-9-14)26(23,24)18(20-19)17(22)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3/b18-17+