(1,3-diphenylpropoxy)sulfonic acid (CHEBI:186332)

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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	(1,3-diphenylpropoxy)sulfonic acid

ChEBI ID	CHEBI:186332

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H16O4S

Net Charge

Average Mass

292.350

Monoisotopic Mass

292.07693

InChI

InChI=1S/C15H16O4S/c16-20(17,18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,16,17,18)

InChIKey

NHBDIFPGEJWWES-UHFFFAOYSA-N

SMILES

S(OC(CCC1=CC=CC=C1)C2=CC=CC=C2)(O)(=O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	(1,3-diphenylpropoxy)sulfonic acid (CHEBI:186332) is a aromatic compound (CHEBI:33655)

IUPAC Name

1,3-diphenylpropyl hydrogen sulate