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CHEBI:53734 - remazole black-GR (4−)

Default Structure
ChEBI IDCHEBI:53734
ChEBI Nameremazole black-GR (4−)
Stars
ASCII Nameremazole black-GR (4-)
DefinitionThe organosulfonate oxoanion that is the tetraanionic form of the azo dye remazole black-GR.
Last Modified6 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H21N5O19S6
Net Charge-4
Average Mass899.872
Monoisotopic Mass898.91769
SMILESNc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c12
InChIInChI=1S/C26H25N5O19S6/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/p-4/b30-28+,31-29+
InChIKeyOTKRGWXWWWNPKU-FUEWEDNTSA-J
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
remazole black-GR (4−) (CHEBI:53734) has role dye (CHEBI:37958)
remazole black-GR (4−) (CHEBI:53734) is a bis(azo) compound (CHEBI:48960)
remazole black-GR (4−) (CHEBI:53734) is a organosulfonate oxoanion (CHEBI:33554)
remazole black-GR (4−) (CHEBI:53734) is a sulfone (CHEBI:35850)
Incoming Relation(s)
remazole black-GR (CHEBI:53731) has part remazole black-GR (4−) (CHEBI:53734)
IUPAC Name 
4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate
UniProt Name  Source
reactive black 5UniProt
Registry NumbersSources
Reaxys:8182595Reaxys