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CHEBI:93400 - 1-amino-4-(4-chloroanilino)-9,10-dioxo-2-anthracenesulfonic acid

ChEBI IDCHEBI:93400
ChEBI Name1-amino-4-(4-chloroanilino)-9,10-dioxo-2-anthracenesulfonic acid
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DownloadsMolfile
FormulaC20H13ClN2O5S
Net Charge0
Average Mass428.853
Monoisotopic Mass428.02337
SMILESNc1c(S(=O)(=O)O)cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)
InChIKeyMHSMKEQLFFWYOS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-amino-4-(4-chloroanilino)-9,10-dioxo-2-anthracenesulfonic acid (CHEBI:93400) is a anthraquinone (CHEBI:22580)
Manual XrefsDatabases
LSM-3789LINCS