2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene (CHEBI:174290)

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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	2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene

ChEBI ID	CHEBI:174290

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O3S

Net Charge

Average Mass

250.310

Monoisotopic Mass

250.06637

InChI

InChI=1S/C13H14O3S/c1-17(14)11-4-2-3-6-12-7-9-13(16-12)8-5-10-15-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+

InChIKey

HGPOBYCDHSNTNP-QFQHGIJPSA-N

SMILES

S(=O)(/C=C\C#C\C=C/1\OC2(OCCC2)C=C1)C

ChEBI Ontology
Outgoing	2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene (CHEBI:174290) is a ketal (CHEBI:59777)

IUPAC Name

(2E)-2-[(Z)-5-methylsulinylpent-4-en-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene