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CHEBI:58965 - procion yellow MX-4R

ChEBI IDCHEBI:58965
ChEBI Nameprocion yellow MX-4R
Stars
DefinitionA organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound.
Last Modified25 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H19ClN4O11S3.2Na
Net Charge0
Average Mass669.023
Monoisotopic Mass667.96964
SMILESCOc1ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc1/N=N/C1C(=O)N(c2c(C)cc(S(=O)(=O)[O-])cc2Cl)N=C1C.[Na+].[Na+]
InChIInChI=1S/C20H21ClN4O11S3.2Na/c1-11-8-14(38(29,30)31)9-15(21)19(11)25-20(26)18(12(2)24-25)23-22-16-10-13(4-5-17(16)35-3)37(27,28)7-6-36-39(32,33)34;;/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b23-22+;;
InChIKeyMDNHFVJYEPHAAQ-VPMNAVQSSA-L
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
procion yellow MX-4R (CHEBI:58965) has role dye (CHEBI:37958)
procion yellow MX-4R (CHEBI:58965) is a monoazo compound (CHEBI:48959)
procion yellow MX-4R (CHEBI:58965) is a organic sodium salt (CHEBI:38700)
procion yellow MX-4R (CHEBI:58965) is a pyrazoles (CHEBI:26410)
Incoming Relation(s)
bilirubin IXβ(2−) (CHEBI:228295) is a procion yellow MX-4R (CHEBI:58965)
IUPAC Name 
disodium 3-chloro-4-{4-[(2-methoxy-5-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-5-methylbenzenesulfonate
Synonyms  Source
procion yellow MX4RChemIDplus
C.I. Reactive Yellow 14ChemIDplus
Registry NumbersSources
CAS:18976-74-4ChemIDplus
Citations