(E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate

Systemtic Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-propanoyloxyphenyl)sulfonyl-ethenolate CAS Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-[4-(1-oxopropoxy)phenyl]sulfonylethenolate IUPAC Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-propanoyloxyphenyl)sulfonylethenolate Traditional Name: (E)-1-(4-tert-butylphenyl)-2-diazonio-2-(4-propionyloxyphenyl)sulfonyl-ethenolate Formula: C21H22N2O5S MolecularWeight: 414.47478

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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(C)(C)C)[O-])[N+]#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-5-18(24)28-16-10-12-17(13-11-16)29(26,27)20(23-22)19(25)14-6-8-15(9-7-14)21(2,3)4/h6-13H,5H2,1-4H3/b20-19+