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CHEBI:87469 - benzo scarlet 4BNS free acid

ChEBI IDCHEBI:87469
ChEBI Namebenzo scarlet 4BNS free acid
Stars
DefinitionA naphthalenesulfonic acid that is the free acid form of the dye benzo scarlet 4BNS. The trisodium salt is a direct cotton dye that is also capable of hydrogen bonding to amyloid and giving a dark enough red colour to be useful in diagnostic histology.
Last Modified13 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC38H28N6O13S3
Net Charge0
Average Mass872.872
Monoisotopic Mass872.08765
SMILESCOc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1
InChIInChI=1S/C38H28N6O13S3/c1-57-28-4-2-3-26(19-28)41-43-34-32(59(51,52)53)17-22-14-24(8-11-30(22)36(34)45)39-38(47)40-25-9-12-31-23(15-25)18-33(60(54,55)56)35(37(31)46)44-42-27-7-5-21-16-29(58(48,49)50)10-6-20(21)13-27/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
InChIKeyLKEXMQMWPUWGCE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzo scarlet 4BNS free acid (CHEBI:87469) is a aromatic ether (CHEBI:35618)
benzo scarlet 4BNS free acid (CHEBI:87469) is a azobenzenes (CHEBI:22682)
benzo scarlet 4BNS free acid (CHEBI:87469) is a bis(azo) compound (CHEBI:48960)
benzo scarlet 4BNS free acid (CHEBI:87469) is a naphthalenesulfonic acid (CHEBI:36336)
benzo scarlet 4BNS free acid (CHEBI:87469) is a naphthols (CHEBI:25392)
benzo scarlet 4BNS free acid (CHEBI:87469) is a ureas (CHEBI:47857)
benzo scarlet 4BNS free acid (CHEBI:87469) is conjugate acid of benzo scarlet 4BNS(3−) (CHEBI:87470)
Incoming Relation(s)
benzo scarlet 4BNS(3−) (CHEBI:87470) is conjugate base of benzo scarlet 4BNS free acid (CHEBI:87469)
IUPAC Name 
4-hydroxy-7-[({5-hydroxy-6-[(3-methoxyphenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Synonyms  Source
amyloid red free acidChEBI
direct red 72 free acidChEBI