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CHEBI:82435 - D and C Red No. 9

Default Structure
ChEBI IDCHEBI:82435
ChEBI NameD and C Red No. 9
Stars
DownloadsMolfile
FormulaBa.2C17H12ClN2O4S
Net Charge0
Average Mass888.954
Monoisotopic Mass887.94651
SMILESCc1cc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.Cc1cc(/N=N/c2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Ba+2]
InChIInChI=1S/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;
InChIKeyPOJOORKDYOPQLS-FFRZOONGSA-L
ChEBI Ontology
Outgoing Relation(s)
D and C Red No. 9 (CHEBI:82435) is a organic molecular entity (CHEBI:50860)
Synonym  Source
C.I. Pigment Red 53KEGG COMPOUND
Manual XrefsDatabases
C19382KEGG COMPOUND
Registry NumbersSources
CAS:5160-02-1KEGG COMPOUND