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CHEBI:51980 - DY-731

ChEBI IDCHEBI:51980
ChEBI NameDY-731
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC38H47N2O9S2.Na
Net Charge0
Average Mass762.923
Monoisotopic Mass762.26207
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)[o+]c2cc(N(CC)CC)ccc12.[Na+]
InChIInChI=1S/C38H48N2O9S2.Na/c1-7-39(8-2)28-17-19-30-27(24-35(37(3,4)5)49-33(30)25-28)14-10-9-11-15-34-38(6,21-12-16-36(41)42)31-26-29(51(46,47)48)18-20-32(31)40(34)22-13-23-50(43,44)45;/h9-11,14-15,17-20,24-26H,7-8,12-13,16,21-23H2,1-6H3,(H2-,41,42,43,44,45,46,47,48);/q;+1/p-1
InChIKeyAUDFAQMTDONOOB-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-731 (CHEBI:51980) has part DY-731(1−) (CHEBI:52833)
DY-731 (CHEBI:51980) has role fluorochrome (CHEBI:51217)
DY-731 (CHEBI:51980) is a organic sodium salt (CHEBI:38700)
IUPAC Names 
sodium 2-{5-[2-tert-butyl-7-(diethylamino)chromenium-4-yl]penta-2,4-dien-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
sodium 2-{5-[2-tert-butyl-7-(diethylamino)-4H-chromen-4-ylidene]penta-1,3-dien-1-yl}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate