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CHEBI:59039 - cromoglycate(2−)

ChEBI IDCHEBI:59039
ChEBI Namecromoglycate(2−)
Stars
ASCII Namecromoglycate(2-)
DefinitionThe dicarboxylate anion of cromoglycic acid.
Last Modified19 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC23H14O11
Net Charge-2
Average Mass466.354
Monoisotopic Mass466.05471
SMILESO=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1
InChIInChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)/p-2
InChIKeyIMZMKUWMOSJXDT-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
cromoglycate(2−) (CHEBI:59039) is a dicarboxylic acid dianion (CHEBI:28965)
cromoglycate(2−) (CHEBI:59039) is conjugate base of cromoglycate(1−) (CHEBI:59774)
Incoming Relation(s)
disodium cromoglycate (CHEBI:128458) has part cromoglycate(2−) (CHEBI:59039)
cromoglycate(1−) (CHEBI:59774) is conjugate acid of cromoglycate(2−) (CHEBI:59039)
IUPAC Name 
5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)
Synonyms  Source
cromoglycateChEBI
5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-1-benzopyran-2-carboxylate)IUPAC
Registry NumbersSources
Beilstein:3659374Beilstein