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CHEBI:52694 - C3-indocyanine

Default Structure
ChEBI IDCHEBI:52694
ChEBI NameC3-indocyanine
Stars
DefinitionA C3 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified2 December 2009
SubmitterSteve
DownloadsMolfile
FormulaC27H33N2.I
Net Charge0
Average Mass512.479
Monoisotopic Mass512.16885
SMILES[H]C(=C([H])C1=[N+](CC)c2ccccc2C1(C)C)C([H])=C1N(CC)c2ccccc2C1(C)C.[I-]
InChIInChI=1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1
InChIKeyLGRNGKUSEZTBMB-UHFFFAOYSA-M
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C3-indocyanine (CHEBI:52694) has part C3-indocyanine cation (CHEBI:52804)
C3-indocyanine (CHEBI:52694) has role fluorochrome (CHEBI:51217)
C3-indocyanine (CHEBI:52694) is a cyanine dye (CHEBI:37960)
C3-indocyanine (CHEBI:52694) is a organic iodide salt (CHEBI:50356)
IUPAC Name 
1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium iodide
Synonyms  Source
1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodideChEBI
C3-DI (C3-di-indolenine)ChEBI
Indocarbocyanine(C3)ChEBI
Registry NumbersSources
Beilstein:4088977Beilstein