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CHEBI:88196 - Pontamine sky blue 5B(4−)

ChEBI IDCHEBI:88196
ChEBI NamePontamine sky blue 5B(4−)
Stars
ASCII NamePontamine sky blue 5B(4-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Pontamine sky blue 5B (acid form).
Last Modified13 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H24N6O16S4
Net Charge-4
Average Mass900.860
Monoisotopic Mass900.01536
SMILESCOc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(OC)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O
InChIInChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)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+
InChIKeyKIZIRROTJQVUGJ-HVMBLDELSA-J
ChEBI Ontology
Outgoing Relation(s)
Pontamine sky blue 5B(4−) (CHEBI:88196) is a organosulfonate oxoanion (CHEBI:33554)
Pontamine sky blue 5B(4−) (CHEBI:88196) is conjugate base of Pontamine sky blue 5B (acid form) (CHEBI:88195)
Incoming Relation(s)
Pontamine sky blue 5B (CHEBI:82305) has part Pontamine sky blue 5B(4−) (CHEBI:88196)
Pontamine sky blue 5B (acid form) (CHEBI:88195) is conjugate acid of Pontamine sky blue 5B(4−) (CHEBI:88196)
IUPAC Name 
3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)
Synonym  Source
Pontamine sky blue 5B tetraanionChEBI