CHEBI:82435 - D and C Red No. 9

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name D and C Red No. 9
ChEBI ID CHEBI:82435
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H24BaCl2N4O8S2
Net Charge 0
Average Mass 888.93900
Monoisotopic Mass 887.94651
InChI InChI=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+;
InChIKey POJOORKDYOPQLS-FFRZOONGSA-L
SMILES [Ba++].Cc1cc(\N=N\c2c(O)ccc3ccccc23)c(cc1Cl)S([O-])(=O)=O.Cc1cc(\N=N\c2c(O)ccc3ccccc23)c(cc1Cl)S([O-])(=O)=O
ChEBI Ontology
Outgoing D and C Red No. 9 (CHEBI:82435) is a organic molecular entity (CHEBI:50860)
Synonym Source
C.I. Pigment Red 53 KEGG COMPOUND
Manual Xref Database
C19382 KEGG COMPOUND
View more database links
Registry Number Type Source
5160-02-1 CAS Registry Number KEGG COMPOUND