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CHEBI:53730 - remazole orange-3R

ChEBI IDCHEBI:53730
ChEBI Nameremazole orange-3R
Stars
DefinitionAn azo compound having a ({[(2-sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl moiety attached at position 2 of a multi-substituted naphthalene.
Last Modified25 August 2023
SubmitterSteve
DownloadsMolfile
FormulaC20H17N3O11S3.2Na
Net Charge0
Average Mass617.547
Monoisotopic Mass616.98206
SMILESCC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1.[Na+].[Na+]
InChIInChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;;
InChIKeyDHHGSXPASZBLGC-VPMNAVQSSA-L
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
remazole orange-3R (CHEBI:53730) has part remazole orange-3R(2−) (CHEBI:53733)
remazole orange-3R (CHEBI:53730) has role dye (CHEBI:37958)
remazole orange-3R (CHEBI:53730) is a monoazo compound (CHEBI:48959)
remazole orange-3R (CHEBI:53730) is a organic sodium salt (CHEBI:38700)
remazole orange-3R (CHEBI:53730) is a sulfone (CHEBI:35850)
IUPAC Name 
disodium 6-acetamido-4-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate
Synonyms  Source
Brilliant orange 3RChemIDplus
Reactive Orange 4ChEBI
Remazol Orange GChEBI
Reactive orange 16ChEBI
Remazol Brilliant Orange 3RChEBI
Registry NumbersSources
Reaxys:8819776Reaxys
CAS:20262-58-2ChemIDplus
Citations