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CHEBI:51966 - DY-676

ChEBI IDCHEBI:51966
ChEBI NameDY-676
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC42H45N2O9S2.Na
Net Charge0
Average Mass808.951
Monoisotopic Mass808.24642
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1cc(-c2ccccc2)[o+]c2cc3c(cc12)C(C)=CC(C)(C)N3CC.[Na+]
InChIInChI=1S/C42H46N2O9S2.Na/c1-6-44-36-26-38-33(25-32(36)28(2)27-41(44,3)4)30(23-37(53-38)29-13-8-7-9-14-29)15-10-16-39-42(5,20-11-17-40(45)46)34-24-31(55(50,51)52)18-19-35(34)43(39)21-12-22-54(47,48)49;/h7-10,13-16,18-19,23-27H,6,11-12,17,20-22H2,1-5H3,(H2-,45,46,47,48,49,50,51,52);/q;+1/p-1
InChIKeyWEZOMSPPHBSBEB-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-676 (CHEBI:51966) has part DY-676(1−) (CHEBI:52825)
DY-676 (CHEBI:51966) has role fluorochrome (CHEBI:51217)
DY-676 (CHEBI:51966) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 3-(3-carboxypropyl)-2-[3-(9-ethyl-6,8,8-trimethyl-2-phenyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate