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ChEBI
> Main
CHEBI:82411 - Brilliant Blue
Main
ChEBI Ontology
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ChEBI Name
Brilliant Blue
ChEBI ID
CHEBI:82411
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C37H34N2Na2O9S3
Net Charge
0
Average Mass
792.84800
Monoisotopic Mass
792.12218
InChI
InChI=1S/C37H36N2O9S3.2Na/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)
;;/q;2*+1/p-
2
InChIKey
SGHZXLIDFTYFHQ-UHFFFAOYSA-L
SMILES
[Na+]
.[Na+]
.CCN(Cc1cccc(c1)
S([O-
]
)
(=O)
=O)
c1ccc(cc1)
C(=C1C=CC(C=C1)
=[N+]
(CC)
Cc1cccc(c1)
S([O-
]
)
(=O)
=O)
c1ccccc1S([O-
]
)
(=O)
=O
ChEBI Ontology
Outgoing
Brilliant Blue (
CHEBI:82411
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
Brilliant Blue FCF, disodium salt
KEGG COMPOUND
Manual Xref
Database
C19352
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3844-45-9
CAS Registry Number
KEGG COMPOUND