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CHEBI:27023 - toluene-4-sulfonate
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ChEBI Ontology
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ChEBI Name
toluene-4-sulfonate
ChEBI ID
CHEBI:27023
Definition
An arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C7H7O3S
Net Charge
-1
Average Mass
171.19400
Monoisotopic Mass
171.01214
InChI
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey
JOXIMZWYDAKGHI-UHFFFAOYSA-M
SMILES
Cc1ccc(cc1)S([O-])(=O)=O
ChEBI Ontology
Outgoing
toluene-4-sulfonate (
CHEBI:27023
)
is a
arenesulfonate oxoanion (
CHEBI:22713
)
toluene-4-sulfonate (
CHEBI:27023
)
is conjugate base of
toluene-4-sulfonic acid (
CHEBI:27849
)
Incoming
toluene-4-sulfonic acid (
CHEBI:27849
)
is conjugate acid of
toluene-4-sulfonate (
CHEBI:27023
)
IUPAC Name
4-methylbenzenesulfonate
Synonyms
Sources
4-methylbenzenesulfonic acid, ion(1−)
ChemIDplus
4-toluene sulfonate
ChemIDplus
4-toluenesulfonate
UM-BBD
p
-toluene sulfonate
ChemIDplus
p
-toluenesulfonate
UM-BBD
toluene-4-sulfonate
UniProt
toluene-4-sulfonate
UM-BBD
tosylate
ChEBI
Manual Xref
Database
c0301
UM-BBD
View more database links
Registry Numbers
Types
Sources
1569490
Beilstein Registry Number
Beilstein
16722-51-3
CAS Registry Number
ChemIDplus
327129
Gmelin Registry Number
Gmelin
Last Modified
10 November 2016