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CHEBI:53733 - remazole orange-3R(2−)

Default Structure
ChEBI IDCHEBI:53733
ChEBI Nameremazole orange-3R(2−)
Stars
ASCII Nameremazole orange-3R(2-)
DefinitionThe organosulfonate oxoanion that is the dianionic form of the azo dye remazole orange-3R.
Last Modified25 August 2023
SubmitterSteve
DownloadsMolfile
FormulaC20H17N3O11S3
Net Charge-2
Average Mass571.567
Monoisotopic Mass571.00362
SMILESCC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1
InChIInChI=1S/C20H19N3O11S3/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)/p-2/b23-22+
InChIKeyINOIOAWTVPHTCJ-GHVJWSGMSA-L
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
remazole orange-3R(2−) (CHEBI:53733) has role dye (CHEBI:37958)
remazole orange-3R(2−) (CHEBI:53733) is a monoazo compound (CHEBI:48959)
remazole orange-3R(2−) (CHEBI:53733) is a organosulfonate oxoanion (CHEBI:33554)
remazole orange-3R(2−) (CHEBI:53733) is a sulfone (CHEBI:35850)
Incoming Relation(s)
remazole orange-3R (CHEBI:53730) has part remazole orange-3R(2−) (CHEBI:53733)
IUPAC Name 
6-acetamido-4-hydroxy-3-[(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]naphthalene-2-sulfonate