Compound Details

 Compound-ID 30185
 Common Name Reactive blue 5
 InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(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)
 SMILES c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)Nc5nc(nc(n5)Cl)Nc6cccc(c6)S(=O)(=O)O)S(=O)(=O)O
 External Links
 KEGG-COMPOUND-ID C19693
 ChEBI-ID 61331
61311
 CHEMSPIDER-ID 77201
 METANETX-ID MNXM732529


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