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CHEBI:90214 - Luxol fast blue MBS(2−)

ChEBI IDCHEBI:90214
ChEBI NameLuxol fast blue MBS(2−)
Stars
ASCII NameLuxol fast blue MBS(2-)
DefinitionAn organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of a copper phthalocyanine-disulfonic acid.
Last Modified4 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC32H14CuN8O6S2
Net Charge-2
Average Mass734.194
Monoisotopic Mass732.97847
SMILESO=S(=O)([O-])c1cccc2c1C1=Nc3c4ccccc4c4[n]3[Cu-2]35[n]6c(c7ccccc7c6=NC6=[N+]3C(=N4)c3cccc(S(=O)(=O)[O-])c36)=NC2=[N+]15
InChIInChI=1S/C32H16N8O6S2.Cu/c41-47(42,43)21-13-5-11-19-23(21)32-38-28-18-10-4-2-8-16(18)26(34-28)36-30-20-12-6-14-22(48(44,45)46)24(20)31(40-30)37-27-17-9-3-1-7-15(17)25(33-27)35-29(19)39-32;/h1-14H,(H2-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46);/q-2;+2/p-2
InChIKeyWPFRZRORZCBVMI-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
Luxol fast blue MBS(2−) (CHEBI:90214) is a organosulfonate oxoanion (CHEBI:33554)
Luxol fast blue MBS(2−) (CHEBI:90214) is conjugate base of Luxol fast blue MBS (acid form) (CHEBI:90215)
Incoming Relation(s)
Luxol fast blue MBS (CHEBI:90211) has part Luxol fast blue MBS(2−) (CHEBI:90214)
Luxol fast blue MBS (acid form) (CHEBI:90215) is conjugate acid of Luxol fast blue MBS(2−) (CHEBI:90214)
IUPAC Name 
[29H,31H-phthalocyanine-8,22-disulfonato(4−)-κ4N29,N30,N31,N32]cuprate(2−)
Synonym  Source
Luxol fast blue MBS dianionChEBI