CHEBI:51823 - ATTO 590 para-isomer

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ChEBI Name ATTO 590 para-isomer
ChEBI ID CHEBI:51823
ChEBI ASCII Name ATTO 590 para-isomer
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H37ClN2O9
Net Charge 0
Average Mass 677.14000
Monoisotopic Mass 676.21876
InChI InChI=1S/C36H36N2O5.ClHO4/c1-8-37-28-17-30-26(14-21(28)12-13-35(37,4)5)32(25-15-22(33(39)40)10-11-23(25)34(41)42)27-16-24-20(3)19-36(6,7)38(9-2)29(24)18-31(27)43-30;2-1(3,4)5/h10-19H,8-9H2,1-7H3,(H-,39,40,41,42);(H,2,3,4,5)
InChIKey JWFILYKQXSGKIU-UHFFFAOYSA-N
SMILES [O-]Cl(=O)(=O)=O.CCN1c2cc3Oc4cc5=[N+](CC)C(C)(C)C=Cc5cc4=C(c3cc2C(C)=CC1(C)C)c1cc(ccc1C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
(via ATTO 590 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ATTO 590 para-isomer (CHEBI:51823) has part ATTO 590 para-isomer(1+) (CHEBI:52798)
ATTO 590 para-isomer (CHEBI:51823) has role fluorochrome (CHEBI:51217)
ATTO 590 para-isomer (CHEBI:51823) is a ATTO 590 (CHEBI:51820)
IUPAC Name
6-(2,5-dicarboxyphenyl)-1,11-diethyl-2,2,8,10,10-pentamethyl-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium perchlorate
Synonym Source
ATTO 590 free 2,5-dicarboxylic acid ChEBI
Last Modified
06 March 2012