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CHEBI:86483 - spirit blue

ChEBI IDCHEBI:86483
ChEBI Namespirit blue
Stars
DefinitionA hydrochloride obtained by combining the free base of spirit blue with one equivalent of hydrochloric acid.
Last Modified15 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H29N3.HCl
Net Charge0
Average Mass552.121
Monoisotopic Mass551.21283
SMILESC1=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=CC1=Nc1ccccc1.Cl
InChIInChI=1S/C37H29N3.ClH/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;/h1-27,38-39H;1H
InChIKeyJMCKWTQLJNQCTD-UHFFFAOYSA-N
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
spirit blue (CHEBI:86483) has part spirit blue(1+) (CHEBI:86495)
spirit blue (CHEBI:86483) has role dye (CHEBI:37958)
spirit blue (CHEBI:86483) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N,N'-[{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}di(4,1-phenylene)]dianiline hydrochloride
Synonyms  Source
Solvent Blue 23, monohydrochlorideChemIDplus
Opal Blue SSChemIDplus
HSDB 466ChemIDplus
Registry NumbersSources
CAS:2152-64-9ChemIDplus