CHEBI:52740 - DY-782(2−)

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ChEBI Name DY-782(2−)
ChEBI ID CHEBI:52740
ChEBI ASCII Name DY-782(2-)
Definition The anion of DY-782.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C39H48N2O12S3
Net Charge -2
Average Mass 833.00000
Monoisotopic Mass 832.23804
InChI InChI=1S/C39H50N2O12S3/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)/p-2
InChIKey NNVPTVBOZDYWJL-UHFFFAOYSA-L
SMILES [H]C(=C([H])C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O)C([H])=C([H])c1cc(c2ccc(cc2[o+]1)N(CC)CCCS([O-])(=O)=O)C(C)(C)C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing DY-782(2−) (CHEBI:52740) has role fluorochrome (CHEBI:51217)
DY-782(2−) (CHEBI:52740) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-782 (CHEBI:52725) has part DY-782(2−) (CHEBI:52740)
IUPAC Names
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
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
Last Modified
22 July 2009