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> Main
CHEBI:63832 - bromosulfophthalein(2−)
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ChEBI Name
bromosulfophthalein(2−)
ChEBI ID
CHEBI:63832
ChEBI ASCII Name
bromosulfophthalein(2-)
Definition
An organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:47274
Supplier Information
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Molfile
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Molfile
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Formula
C20H8Br4O10S2
Net Charge
-2
Average Mass
792.010
Monoisotopic Mass
787.63034
InChI
InChI=1S/C20H10Br4O10S2/c21-
15-
13-
14(16(22)
18(24)
17(15)
23)
20(34-
19(13)
27,7-
1-
3-
9(25)
11(5-
7)
35(28,29)
30)
8-
2-
4-
10(26)
12(6-
8)
36(31,32)
33/h1-
6,25-
26H,(H,28,29,30)
(H,31,32,33)
/p-
2
InChIKey
OHTXTCNTQJFRIG-UHFFFAOYSA-L
SMILES
OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O
Roles Classification
Application
(s):
dye
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
bromosulfophthalein(2−) (
CHEBI:63832
)
has role
dye (
CHEBI:37958
)
bromosulfophthalein(2−) (
CHEBI:63832
)
is a
organosulfonate oxoanion (
CHEBI:33554
)
bromosulfophthalein(2−) (
CHEBI:63832
)
is conjugate base of
bromosulfophthalein (
CHEBI:63836
)
Incoming
bromosulfophthalein sodium (
CHEBI:63827
)
has part
bromosulfophthalein(2−) (
CHEBI:63832
)
bromosulfophthalein (
CHEBI:63836
)
is conjugate acid of
bromosulfophthalein(2−) (
CHEBI:63832
)
IUPAC Name
3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
Synonyms
Sources
2-
hydroxy-
5-
[4,5,6,7-
tetrabromo-
1-
(4-
hydroxy-
3-
sulfonato-
phenyl)-
3-
oxo-
2-
benzofuran-
1-
yl]benzenesulfonate
PDBeChem
3,3'-
(4,5,6,7-
tetrabromo-
3-
oxo-
1(3
H
)-
isobenzofuranylidene)bis [6-
hydroxybenzenesulfonic acid]anion
PDBeChem
bromosulfophthalein
ChEBI
bromosulfophthalein dianion
ChEBI
Manual Xref
Database
BSP
PDBeChem
View more database links
Registry Number
Type
Source
1416698
Reaxys Registry Number
Reaxys
Last Modified
22 January 2024