4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol] (CHEBI:189465)

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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	4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol]

ChEBI ID	CHEBI:189465

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O4S

Net Charge

Average Mass

330.400

Monoisotopic Mass

330.09258

InChI

InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

InChIKey

MTMKZABGIQJAEX-UHFFFAOYSA-N

SMILES

S(=O)(=O)(C1=CC(=C(O)C=C1)CC=C)C2=CC(=C(O)C=C2)CC=C

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in leaf sheath (BTO:0005094). See: MetaboLights Study

ChEBI Ontology
Outgoing	4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol] (CHEBI:189465) is a sulfonic acid derivative (CHEBI:33552)

IUPAC Name

4-(4-hydroxy-3-prop-2-enylphenyl)sulonyl-2-prop-2-enylphenol

Registry Number	Type	Source
41481-66-7	CAS Registry Number	ChemIDplus