CHEBI:86483 - spirit blue

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ChEBI Name spirit blue
ChEBI ID CHEBI:86483
Definition A hydrochloride obtained by combining the free base of spirit blue with one equivalent of hydrochloric acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H30ClN3
Net Charge 0
Average Mass 552.10700
Monoisotopic Mass 551.21283
InChI InChI=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
InChIKey JMCKWTQLJNQCTD-UHFFFAOYSA-N
SMILES Cl.N(c1ccccc1)c1ccc(cc1)C(=C1C=CC(C=C1)=Nc1ccccc1)c1ccc(Nc2ccccc2)cc1
Roles Classification
Application(s): dye

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ChEBI Ontology
Outgoing 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 Sources
HSDB 466 ChemIDplus
Opal Blue SS ChemIDplus
Solvent Blue 23, monohydrochloride ChemIDplus
Registry Number Type Source
2152-64-9 CAS Registry Number ChemIDplus
Last Modified
15 July 2015