5-(1-Propynyl)-2-(3,5-hexadien-1-ynyl)thiophene (Q76423626)

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chemical compound

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Language	Label	Description	Also known as
English	5-(1-Propynyl)-2-(3,5-hexadien-1-ynyl)thiophene	chemical compound

Statements

instance of

type of chemical entity

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subclass of

2-(Hexa-3,5-dien-1-YN-1-YL)-5-(prop-1-YN-1-YL)thiophene

1 reference

based on heuristic

inferred from InChIKey

mass

198.05032132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₀S

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canonical SMILES

C(#CC=1SC(C#CC)=CC1)C=CC=C

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isomeric SMILES

CC#CC1=CC=C(S1)C#C/C=C/C=C

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found in taxon

Geigeria aspera

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Geigeria burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Geigeria burkei var. burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Rudbeckia hirta

2 references

stated in

Dithiacyclohexadienes and thiophenes of Rudbeckia hirta

stated in

Multiple modes of insecticidal action of three classes of polyacetylene derivatives from Rudbeckia hirta

Identifiers

InChI

InChI=1S/C13H10S/c1-3-5-6-7-9-13-11-10-12(14-13)8-4-2/h3,5-6,10-11H,1H2,2H3/b6-5+

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InChIKey

BTXGXNRHWLHJBS-AATRIKPKSA-N

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PubChem CID

14162534

1 reference

matched by identifier from

InChIKey

InChIKey

BTXGXNRHWLHJBS-AATRIKPKSA-N

UniChem compound ID

97516752

1 reference

stated in

UniChem

LIPID MAPS ID

LMFA12000346

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

 

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