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> Main
CHEBI:63836 - bromosulfophthalein
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ChEBI Name
bromosulfophthalein
ChEBI ID
CHEBI:63836
Definition
An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H10Br4O10S2
Net Charge
0
Average Mass
794.03300
Monoisotopic Mass
789.64489
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)
InChIKey
OHTXTCNTQJFRIG-UHFFFAOYSA-N
SMILES
Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c12)c1ccc(O)c(c1)S(O)(=O)=O
Roles Classification
Application
(s):
dye
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
bromosulfophthalein (
CHEBI:63836
)
has functional parent
2-benzofuran-1(3
H
)-one (
CHEBI:38085
)
bromosulfophthalein (
CHEBI:63836
)
has role
dye (
CHEBI:37958
)
bromosulfophthalein (
CHEBI:63836
)
is a
2-benzofurans (
CHEBI:38831
)
bromosulfophthalein (
CHEBI:63836
)
is a
organobromine compound (
CHEBI:37141
)
bromosulfophthalein (
CHEBI:63836
)
is a
organosulfonic acid (
CHEBI:33551
)
bromosulfophthalein (
CHEBI:63836
)
is a
phenols (
CHEBI:33853
)
bromosulfophthalein (
CHEBI:63836
)
is conjugate acid of
bromosulfophthalein(2−) (
CHEBI:63832
)
Incoming
bromosulfophthalein(2−) (
CHEBI:63832
)
is conjugate base of
bromosulfophthalein (
CHEBI:63836
)
IUPAC Name
3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonic acid)
Synonyms
Sources
4,5,6,7-tetrabromo-3',3''-disulfophenolphthalein
ChemIDplus
Sulphobromophthalein
ChemIDplus
Manual Xrefs
Databases
2531
DrugCentral
BSP
PDBeChem
C11363
KEGG COMPOUND
D08548
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
297-83-6
CAS Registry Number
ChemIDplus
380936
Reaxys Registry Number
Reaxys
Last Modified
22 February 2017