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CHEBI:123175 - 2-chloro-4-[5-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid

Default Structure
ChEBI IDCHEBI:123175
ChEBI Name2-chloro-4-[5-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid
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DownloadsMolfile
FormulaC23H15ClN2O6
Net Charge0
Average Mass450.834
Monoisotopic Mass450.06186
SMILESCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)cc1
InChIInChI=1S/C23H15ClN2O6/c1-12-2-5-14(6-3-12)26-21(28)17(20(27)25-23(26)31)11-15-7-9-19(32-15)13-4-8-16(22(29)30)18(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,31)
InChIKeySJUSNSIEIKNHNB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-chloro-4-[5-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid (CHEBI:123175) is a benzoic acids (CHEBI:22723)
2-chloro-4-[5-[[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid (CHEBI:123175) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
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