CHEBI:176767 - 4-ethylphenylsulfonic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-ethylphenylsulfonic acid
ChEBI ID CHEBI:176767
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H10O3S
Net Charge 0
Average Mass 186.230
Monoisotopic Mass 186.03507
InChI InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChIKey BRIXOPDYGQCZFO-UHFFFAOYSA-N
SMILES S(O)(=O)(=O)C1=CC=C(CC)C=C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-ethylphenylsulfonic acid (CHEBI:176767) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name
4-ethylbenzenesulonic acid
Manual Xref Database
7124 ChemSpider
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Registry Number Type Source
98-69-1 CAS Registry Number ChemIDplus