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CHEBI:78900 - trypan blue sulfonic acid

ChEBI IDCHEBI:78900
ChEBI Nametrypan blue sulfonic acid
Stars
DefinitionAn aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC34H28N6O14S4
Net Charge0
Average Mass872.894
Monoisotopic Mass872.05463
SMILESCc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O
InChIInChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+
InChIKeyZBNARPCCDMHDDV-HVMBLDELSA-N
Wikipedia
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)
trypan blue sulfonic acid (CHEBI:78900) has role dye (CHEBI:37958)
trypan blue sulfonic acid (CHEBI:78900) is a aminonaphthalenesulfonic acid (CHEBI:38210)
trypan blue sulfonic acid (CHEBI:78900) is a azobenzenes (CHEBI:22682)
trypan blue sulfonic acid (CHEBI:78900) is a naphthols (CHEBI:25392)
trypan blue sulfonic acid (CHEBI:78900) is conjugate acid of trypan blue(4−) (CHEBI:78899)
Incoming Relation(s)
trypan blue(4−) (CHEBI:78899) is conjugate base of trypan blue sulfonic acid (CHEBI:78900)
IUPAC Name 
3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid)
Synonyms  Source
Trypan blue free acidChemIDplus
trypan blue acidChEBI
Manual XrefsDatabases
Trypan_blueWikipedia
4608DrugCentral
Registry NumbersSources
CAS:2538-83-2ChemIDplus