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CHEBI:51816 - ATTO 565 meta-isomer

ChEBI IDCHEBI:51816
ChEBI NameATTO 565 meta-isomer
Stars
ASCII NameATTO 565 meta-isomer
Last Modified23 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC31H31N2O5.ClO4
Net Charge0
Average Mass611.047
Monoisotopic Mass610.17181
SMILESCCN1CCCc2cc3c(cc21)Oc1cc2c(cc1=C3c1ccc(C(=O)O)cc1C(=O)O)CCC[N+]=2CC.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C31H30N2O5.ClHO4/c1-3-32-11-5-7-18-13-23-27(16-25(18)32)38-28-17-26-19(8-6-12-33(26)4-2)14-24(28)29(23)21-10-9-20(30(34)35)15-22(21)31(36)37;2-1(3,4)5/h9-10,13-17H,3-8,11-12H2,1-2H3,(H-,34,35,36,37);(H,2,3,4,5)
InChIKeyWPKCJVLZWQTZOT-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
ATTO 565 meta-isomer (CHEBI:51816) has part ATTO 565 meta-isomer(1+) (CHEBI:52796)
ATTO 565 meta-isomer (CHEBI:51816) has role fluorochrome (CHEBI:51217)
ATTO 565 meta-isomer (CHEBI:51816) is a ATTO 565 (CHEBI:51819)
IUPAC Name 
6-(2,4-dicarboxyphenyl)-1,11-diethyl-3,4,8,9,10,11-hexahydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium perchlorate
Synonym  Source
ATTO 565 free 2,4-dicarboxylic acidChEBI