Brilliant blue FCF

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Systematic / IUPAC Name: (1Z,4Z)-N-Ethyl-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylene]-N-(3-sulfobenzyl)-2,5-cyclohexadien-1-iminium

ID: Reference6201

Other Names: 11388 Blue;
1206 Blue;
Acid blue 9;
Eriosky blue

Formula: C37H37N2O9S3 +

Class: Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Brilliant blue FCF mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 5870
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/11/2017 10:56:05 AM
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Identificators

InChI InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1
InChI Key CTRXDTYTAAKVSM-UHFFFAOYSA-O
Canonical SMILES CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O
CAS
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Other Names 11388 Blue;
1206 Blue;
Acid blue 9;
Eriosky blue

In Other Databases

PubChem 17560
Wikipedia Brilliant Blue FCF
ChemIDPlus 003844459; 015792673; 025305786; 071701183; 071701194
ChEMBL CHEMBL3305988
ChemSpider 16603