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CHEBI:78899 - trypan blue(4−)

ChEBI IDCHEBI:78899
ChEBI Nametrypan blue(4−)
Stars
ASCII Nametrypan blue(4-)
DefinitionAn organosulfonate oxoanion that is the tetraanionic form of trypan blue.
Last Modified19 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC34H24N6O14S4
Net Charge-4
Average Mass868.862
Monoisotopic Mass868.02553
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)/p-4/b39-37+,40-38+
InChIKeyZBNARPCCDMHDDV-HVMBLDELSA-J
ChEBI Ontology
Outgoing Relation(s)
trypan blue(4−) (CHEBI:78899) is a organosulfonate oxoanion (CHEBI:33554)
trypan blue(4−) (CHEBI:78899) is conjugate base of trypan blue sulfonic acid (CHEBI:78900)
Incoming Relation(s)
trypan blue (CHEBI:78897) has part trypan blue(4−) (CHEBI:78899)
trypan blue sulfonic acid (CHEBI:78900) is conjugate acid of trypan blue(4−) (CHEBI:78899)
IUPAC Name 
3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)