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

PropertiesImage
MNX_IDMNXM116595 Image of MNXM116595
referencechebi:174290
formulaC13H14O3S
global charge0
mol weight250.319
InChIKeyHGPOBYCDHSNTNP-QFQHGIJPSA-N
InChIInChI=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+
SMILESCS(=O)/C=C\C#C/C=C1\C=CC2(CCCO2)O1
MNX internals
InChI (mnx)InChI=1/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+/t13?,17? Image of MNXM116595
SMILES (mnx)[CH3:1][S:17](/[CH:11]=[CH:4]\[C:2]#[C:3]/[CH:6]=[C:12]1\[CH:7]=[CH:9][C:13]2([CH2:8][CH2:5][CH2:10][O:15]2)[O:16]1)=[O:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:174290
chebi:174290
HGPOBYCDHSNTNP-QFQHGIJPSA-N 		2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(2E)-2-[(Z)-5-methylsulinylpent-4-en-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
hmdb:HMDB0032670
HGPOBYCDHSNTNP-QFQHGIJPSA-N 		2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(2E)-2-[(4Z)-5-Methanesulphinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(2E)-2-[(4Z)-5-methanesulfinylpent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(7Z,11E)-2-(5-Methylsulphinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
2-[(5-Methylsulphinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene

hmdb:HMDB32670 		secondary/obsolete/fantasy identifier