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CHEBI:87636 - Evans blue(4−)

ChEBI IDCHEBI:87636
ChEBI NameEvans blue(4−)
Stars
ASCII NameEvans blue(4-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the four sulfo groups of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid).
Last Modified24 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H24N6O14S4
Net Charge-4
Average Mass868.862
Monoisotopic Mass868.02553
SMILESCc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O
InChIInChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)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+
InChIKeyCOXVTLYNGOIATD-HVMBLDELSA-J
ChEBI Ontology
Outgoing Relation(s)
Evans blue(4−) (CHEBI:87636) is a organosulfonate oxoanion (CHEBI:33554)
Evans blue(4−) (CHEBI:87636) is conjugate base of Evans blue free acid (CHEBI:87634)
Incoming Relation(s)
Evans blue (CHEBI:82467) has part Evans blue(4−) (CHEBI:87636)
Evans blue free acid (CHEBI:87634) is conjugate acid of Evans blue(4−) (CHEBI:87636)
IUPAC Name 
6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate)
Synonyms  Source
Evans blue anionChEBI
Evans blue tetraanionChEBI