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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:133089 -
o
-cresol hydrogen sulfate
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ChEBI Name
o
-cresol hydrogen sulfate
ChEBI ID
CHEBI:133089
ChEBI ASCII Name
o-cresol hydrogen sulfate
Definition
An aryl sulfate that is
o
-cresol in which the phenolic hydrogen has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H8O4S
Net Charge
0
Average Mass
188.202
Monoisotopic Mass
188.01433
InChI
InChI=1S/C7H8O4S/c1-6-4-2-3-5-7(6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
CYGSXDXRHXMAOV-UHFFFAOYSA-N
SMILES
C=1C=CC=C(C1C)OS(O)(=O)=O
ChEBI Ontology
Outgoing
o
-cresol hydrogen sulfate (
CHEBI:133089
)
has functional parent
o
-cresol (
CHEBI:28054
)
o
-cresol hydrogen sulfate (
CHEBI:133089
)
is a
aryl sulfate (
CHEBI:37919
)
o
-cresol hydrogen sulfate (
CHEBI:133089
)
is conjugate acid of
o
-cresol sulfate (
CHEBI:133090
)
Incoming
o
-cresol sulfate (
CHEBI:133090
)
is conjugate base of
o
-cresol hydrogen sulfate (
CHEBI:133089
)
IUPAC Name
2-methylphenyl hydrogen sulfate
Synonyms
Sources
(2-Methylphenyl) sulfate
ChemIDplus
o
-cresol sulfate
ChEBI
o
-cresolsulfuric acid
ChEBI
o-Methylphenyl sulfate
ChemIDplus
o-Tolyl sulfate
ChemIDplus
Sulfuric acid, mono-o-tolyl ester
ChemIDplus
Registry Numbers
Types
Sources
2098643
Reaxys Registry Number
Reaxys
3233-56-5
CAS Registry Number
ChemIDplus
Last Modified
19 August 2016