CHEBI:58965 - procion yellow MX-4R

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ChEBI Name procion yellow MX-4R ChEBI ID CHEBI:58965 Definition A organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H19ClN4Na2O11S3 Net Charge 0 Average Mass 669.01300 Monoisotopic Mass 667.96964 InChI InChI=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+;; InChIKey MDNHFVJYEPHAAQ-VPMNAVQSSA-L SMILES [Na+].[Na+].COc1ccc(cc1\N=N\C1C(C)=NN(C1=O)c1c(C)cc(cc1Cl)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O Roles Classification Application(s): dye View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources C.I. Reactive Yellow 14 ChemIDplus procion yellow MX4R ChemIDplus Registry Number Type Source 18976-74-4 CAS Registry Number ChemIDplus Citation Type Source 9819302 PubMed citation Europe PMC Last Modified 25 August 2023