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CHEBI:59196 - dichlorochromopyrrolic acid

ChEBI IDCHEBI:59196
ChEBI Namedichlorochromopyrrolic acid
Stars
DefinitionA pyrrole-2,5-dicarboxylic acid having 7-chloroindol-3-yl groups at the 3- and 4-positions.
Last Modified7 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H13Cl2N3O4
Net Charge0
Average Mass454.269
Monoisotopic Mass453.02831
SMILESO=C(O)c1nc(C(=O)O)c(-c2cnc3c(Cl)cccc23)c1-c1cnc2c(Cl)cccc12
InChIInChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31)
InChIKeyOAMCCJASDLMTOO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dichlorochromopyrrolic acid (CHEBI:59196) is a chloroindole (CHEBI:52508)
dichlorochromopyrrolic acid (CHEBI:59196) is a pyrroledicarboxylic acid (CHEBI:59197)
dichlorochromopyrrolic acid (CHEBI:59196) is conjugate acid of dichlorochromopyrrolate (CHEBI:59198)
Incoming Relation(s)
dichlorochromopyrrolate (CHEBI:59198) is conjugate base of dichlorochromopyrrolic acid (CHEBI:59196)
IUPAC Name 
3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
Registry NumbersSources
Beilstein:9452627Beilstein