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CHEBI:52122 - malachite green isothiocyanate

ChEBI IDCHEBI:52122
ChEBI Namemalachite green isothiocyanate
Stars
Last Modified29 July 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC24H24N3S.ClO4
Net Charge0
Average Mass485.993
Monoisotopic Mass485.11760
SMILESCN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N=C=S)cc2)cc1.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C24H24N3S.ClHO4/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4;2-1(3,4)5/h5-16H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyDDKWQLRWSLILIV-UHFFFAOYSA-M
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
malachite green isothiocyanate (CHEBI:52122) has part malachite green isothiocyanate cation (CHEBI:52870)
malachite green isothiocyanate (CHEBI:52122) has role fluorochrome (CHEBI:51217)
malachite green isothiocyanate (CHEBI:52122) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name 
N-(4-{[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium perchlorate
Registry NumbersSources
Beilstein:9242877Beilstein