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CHEBI:58963 - procion orange MX-2R

ChEBI IDCHEBI:58963
ChEBI Nameprocion orange MX-2R
Stars
DefinitionA 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-2-yldiazenyl substituent at the 6-position.
Last Modified25 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H16Cl2N6O10S3
Net Charge0
Average Mass715.531
Monoisotopic Mass713.94671
SMILESCN(c1ccc2c(O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C24H16Cl2N6O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)
InChIKeyXBOVMYYXPJSURC-UHFFFAOYSA-N
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
procion orange MX-2R (CHEBI:58963) has role dye (CHEBI:37958)
procion orange MX-2R (CHEBI:58963) is a chloro-1,3,5-triazine (CHEBI:38168)
procion orange MX-2R (CHEBI:58963) is a monoazo compound (CHEBI:48959)
IUPAC Name 
2-({6-[(4,6-dichloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl}diazenyl)naphthalene-1,5-disulfonic acid
Synonyms  Source
Procion Orange MX2RChEBI
2-(6-(4,6-dichloro-s-triazinyl)methylamino-1-hydroxy-3-sulfonaphthylazo)-1,5-naphthalenedisulfonic acidChemIDplus
Registry NumbersSources
Reaxys:8746515Reaxys
CAS:73816-75-8ChemIDplus
Citations