CHEBI:59196 - dichlorochromopyrrolic acid

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ChEBI Name dichlorochromopyrrolic acid
ChEBI ID CHEBI:59196
Definition A pyrrole-2,5-dicarboxylic acid having 7-chloroindol-3-yl groups at the 3- and 4-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H13Cl2N3O4
Net Charge 0
Average Mass 454.26200
Monoisotopic Mass 453.02831
InChI InChI=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)
InChIKey OAMCCJASDLMTOO-UHFFFAOYSA-N
SMILES OC(=O)c1[nH]c(C(O)=O)c(-c2c[nH]c3c(Cl)cccc23)c1-c1c[nH]c2c(Cl)cccc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 Number Type Source
9452627 Beilstein Registry Number Beilstein
Last Modified
07 March 2017