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CHEBI:133704 - ethyl 4-hydroxybenzoate sulfate
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ChEBI Name
ethyl 4-hydroxybenzoate sulfate
ChEBI ID
CHEBI:133704
Definition
A benzoate ester that is ethyl 4-hydroxybenzoate in which the phenolic hydrogen has been replaced by a sulfo group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O6S
Net Charge
0
Average Mass
246.239
Monoisotopic Mass
246.01981
InChI
InChI=1S/C9H10O6S/c1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey
LJXYMXIWXRFOHR-UHFFFAOYSA-N
SMILES
O(C(C=1C=CC(=CC1)OS(O)(=O)=O)=O)CC
ChEBI Ontology
Outgoing
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
has functional parent
4-hydroxybenzoic acid (
CHEBI:30763
)
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
is a
aryl sulfate (
CHEBI:37919
)
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
is a
benzoate ester (
CHEBI:36054
)
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
is a
ethyl ester (
CHEBI:23990
)
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
is conjugate acid of
ethyl 4-hydroxybenzoate sulfate(1−) (
CHEBI:133705
)
Incoming
ethyl 4-hydroxybenzoate sulfate(1−) (
CHEBI:133705
)
is conjugate base of
ethyl 4-hydroxybenzoate sulfate (
CHEBI:133704
)
IUPAC Name
ethyl 4-(sulfooxy)benzoate
Synonyms
Sources
ethyl 4-sulfooxybenzoate
ChEBI
ethyl
p
-hydroxybenzoate sulfate
ChEBI
ethyl
para
-hydroxybenzoate sulfate
ChEBI
ethyl paraben sulfate
ChEBI
ethylparaben sulfate
ChEBI
Registry Number
Type
Source
2655724
Reaxys Registry Number
Reaxys
Last Modified
10 October 2016