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3-((1E)-2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
SpectraBase Compound ID 90CMmeWMJOy
InChI InChI=1S/C31H24ClN3O5S/c1-20-5-3-6-21(2)29(20)35-41(38,39)28-15-13-26(14-16-28)34-30(36)24(19-33)17-22-7-4-8-27(18-22)40-31(37)23-9-11-25(32)12-10-23/h3-18,35H,1-2H3,(H,34,36)/b24-17+
InChIKey HQPJUIPCOGTJPH-JJIBRWJFSA-N
Mol Weight 586.06 g/mol
Molecular Formula C31H24ClN3O5S
Exact Mass 585.11252 g/mol
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Solvent DMSO-d6
  • 3-(2-cyano-3-{4-[(2,6-dimethylanilino)sulfonyl]anilino}-3-oxo-1-propenyl)phenyl 4-chlorobenzoate
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