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CHEBI:63886 - Reactive red 120

ChEBI IDCHEBI:63886
ChEBI NameReactive red 120
Stars
DefinitionA bis(azo) compound that consists of a benzene core having two (4-amino-6-chloro-1,3,5-triazin-2-yl)amino groups attached at positions 1 and 4 and which in turn have 5-hydroxy-6-[(2-sulfophenyl)diazenyl]-2,7-disulfonaphthalen-4-yl groups attached to their 4-amino functions.
Last Modified10 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC44H30Cl2N14O20S6
Net Charge0
Average Mass1338.110
Monoisotopic Mass1335.94621
SMILESO=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7ccccc7S(=O)(=O)O)c(O)c56)n4)cc3)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1
InChIInChI=1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)
InChIKeyOVSNDJXCFPSPDZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
Reactive red 120 (CHEBI:63886) has role dye (CHEBI:37958)
Reactive red 120 (CHEBI:63886) is a azobenzenes (CHEBI:22682)
Reactive red 120 (CHEBI:63886) is a bis(azo) compound (CHEBI:48960)
Reactive red 120 (CHEBI:63886) is a chloro-1,3,5-triazine (CHEBI:38168)
Reactive red 120 (CHEBI:63886) is a diamino-1,3,5-triazine (CHEBI:38170)
Reactive red 120 (CHEBI:63886) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name 
4,4'-{1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{5-hydroxy-6-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid}
Synonym  Source
Reactive red 120 dyeChemIDplus
Registry NumbersSources
Reaxys:8185383Reaxys
CAS:61951-82-4ChemIDplus
Citations