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CHEBI:34946 - Reactive blue 2

ChEBI IDCHEBI:34946
ChEBI NameReactive blue 2
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H20ClN7O11S3
Net Charge0
Average Mass774.171
Monoisotopic Mass773.00715
SMILESNc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)
InChIKeyJQYMGXZJTCOARG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Reactive blue 2 (CHEBI:34946) is a anthraquinone (CHEBI:22580)
Synonym  Source
Reactive blue 2KEGG COMPOUND
Manual XrefsDatabases
C13746KEGG COMPOUND
Registry NumbersSources
CAS:12236-82-7KEGG COMPOUND