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CHEBI:51977 - DY-701

ChEBI IDCHEBI:51977
ChEBI NameDY-701
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC39H43N2O9S2.Na
Net Charge0
Average Mass770.902
Monoisotopic Mass770.23077
SMILES[H]C(C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)=C([H])c1[o+]c2cc(N(CC)CC)ccc2c(-c2ccccc2)c1C.[Na+]
InChIInChI=1S/C39H44N2O9S2.Na/c1-5-40(6-2)29-18-20-31-35(25-29)50-34(27(3)38(31)28-13-8-7-9-14-28)15-10-16-36-39(4,22-11-17-37(42)43)32-26-30(52(47,48)49)19-21-33(32)41(36)23-12-24-51(44,45)46;/h7-10,13-16,18-21,25-26H,5-6,11-12,17,22-24H2,1-4H3,(H2-,42,43,44,45,46,47,48,49);/q;+1/p-1
InChIKeyCCVDGRFGYDJCNB-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
DY-701 (CHEBI:51977) has part DY-701(1−) (CHEBI:52830)
DY-701 (CHEBI:51977) has role fluorochrome (CHEBI:51217)
DY-701 (CHEBI:51977) is a organic sodium salt (CHEBI:38700)
IUPAC Names 
sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenylchromenium-2-yl]prop-2-en-1-ylidene}-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
sodium 3-(3-carboxypropyl)-2-{3-[7-(diethylamino)-3-methyl-4-phenyl-2H-chromen-2-ylidene]prop-1-en-1-yl}-3-methyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate