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CHEBI:53731 - remazole black-GR

ChEBI IDCHEBI:53731
ChEBI Nameremazole black-GR
Stars
DefinitionA bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC26H21N5O19S6.4Na
Net Charge0
Average Mass991.832
Monoisotopic Mass990.87458
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.[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C26H25N5O19S6.4Na/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);;;;/q;4*+1/p-4/b30-28+,31-29+;;;;
InChIKeyHFIYIRIMGZMCPC-YOLJWEMLSA-J
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
remazole black-GR (CHEBI:53731) has part remazole black-GR (4−) (CHEBI:53734)
remazole black-GR (CHEBI:53731) has role dye (CHEBI:37958)
remazole black-GR (CHEBI:53731) is a bis(azo) compound (CHEBI:48960)
remazole black-GR (CHEBI:53731) is a organic sodium salt (CHEBI:38700)
remazole black-GR (CHEBI:53731) is a sulfone (CHEBI:35850)
IUPAC Name 
tetrasodium 4-amino-5-hydroxy-3,6-bis[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2,7-disulfonate
Synonyms  Source
Remazol black BChemIDplus
Reactive Black 5ChemIDplus
Remazol Black GFChemIDplus
Manual XrefsDatabases
C16001KEGG COMPOUND
Registry NumbersSources
Reaxys:8184406Reaxys
CAS:17095-24-8ChemIDplus
CAS:17095-24-8KEGG COMPOUND
Citations