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CHEBI:52725 - DY-782

ChEBI IDCHEBI:52725
ChEBI NameDY-782
Stars
Last Modified22 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC39H48N2O12S3.2Na
Net Charge0
Average Mass878.996
Monoisotopic Mass878.21648
SMILES[H]C(=C([H])C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)C([H])=C([H])c1cc(C(C)(C)C)c2ccc(N(CC)CCCS(=O)(=O)[O-])cc2[o+]1.[Na+].[Na+]
InChIInChI=1S/C39H50N2O12S3.2Na/c1-6-40(21-11-23-54(44,45)46)28-16-18-31-32(38(2,3)4)26-29(53-35(31)25-28)13-8-7-9-14-36-39(5,20-10-15-37(42)43)33-27-30(56(50,51)52)17-19-34(33)41(36)22-12-24-55(47,48)49;;/h7-9,13-14,16-19,25-27H,6,10-12,15,20-24H2,1-5H3,(H3-,42,43,44,45,46,47,48,49,50,51,52);;/q;2*+1/p-2
InChIKeyBQWMYHMBFOJBQN-UHFFFAOYSA-L
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-782 (CHEBI:52725) has part DY-782(2−) (CHEBI:52740)
DY-782 (CHEBI:52725) has role fluorochrome (CHEBI:51217)
DY-782 (CHEBI:52725) is a organic sodium salt (CHEBI:38700)
IUPAC Names 
disodium 2-[5-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-2-yl}penta-2,4-dien-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
disodium 2-[5-{4-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]-2H-chromen-2-ylidene}penta-1,3-dien-1-yl]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate